98.0%(T)| A1456768|Formula:C7HF13O2|Molecular Weight:364.060950000+ products instock " />

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[ CAS No. 375-85-9 ] {[proInfo.proName]}

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Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 375-85-9
Chemical Structure| 375-85-9
Structure of 375-85-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 375-85-9 ]

CAS No. :375-85-9 MDL No. :MFCD00039604
Formula : C7HF13O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
M.W : 364.06 Pubchem ID :67818
Synonyms :

Calculated chemistry of [ 375-85-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 6
Num. H-bond acceptors : 15.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.43
TPSA : 37.3 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.87
Log Po/w (XLOGP3) : 4.26
Log Po/w (WLOGP) : 9.27
Log Po/w (MLOGP) : 3.56
Log Po/w (SILICOS-IT) : 4.41
Consensus Log Po/w : 4.67

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -4.38
Solubility : 0.015 mg/ml ; 0.0000412 mol/l
Class : Moderately soluble
Log S (Ali) : -4.76
Solubility : 0.0064 mg/ml ; 0.0000176 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.13
Solubility : 0.272 mg/ml ; 0.000746 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.38

Safety of [ 375-85-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P201-P202-P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501 UN#:3265
Hazard Statements:H302-H314-H360-H372 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 375-85-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 375-85-9 ]

[ 375-85-9 ] Synthesis Path-Downstream   1~2

  • 1
  • (E)-1,1,1,2,2,3,3,4,5,6,6,7,7,8,8,9,9,9-Octadecafluoro-non-4-ene [ No CAS ]
  • [ 375-22-4 ]
  • [ 422-64-0 ]
  • [ 2706-90-3 ]
  • [ 307-24-4 ]
  • [ 375-85-9 ]
  • [ 76-05-1 ]
  • 2
  • [ 335-67-1 ]
  • [ 375-22-4 ]
  • [ 422-64-0 ]
  • [ 2706-90-3 ]
  • [ 307-24-4 ]
  • [ 375-85-9 ]
  • [ 76-05-1 ]
YieldReaction ConditionsOperation in experiment
With titanium dioxide P-25; water; oxygen; at 30℃; for 15h;UV-irradiation;Kinetics; Catalytic behavior; Mechanism; The photocatalytic apparatus was a 1 L glass stirred reactor equipped with an iron halogenide UV lamp (500 W, Jelosil?HG500) emitting light at wavelengths of 315?400 nm and able t oirradiate the reactor with a specific power of 75 W/m2. The UV lamp was placed beside the reactor, which was cooled with water at a temperature of 30.0 ± 0.5 °C [27]. Titanium dioxide was introduced in the reactor at the beginning of each test (0.66 g/L) [27]. The variation of the surfactant concentration in solution was monitored by Total Organic Carbon (TOC) analysis and Ionic Chromatography [27]. The PFOA initial concentration ([PFOA]0=4 mM) was maintained lower than its CMC (7.8 mM [47]) in order to avoid the formation of emulsions that would reduce the TiO2-promoted photodegradation rates [27,28]. Moreover, the PFOA initial concentration was high enough to allow the detection of the degradation intermediates, even at very low concentrations. Each kinetic test was repeated three times in order to evaluate the error extent and realized by collecting samples (10 mL) of the reaction mixture at predetermined reaction times. Samples were centrifugedand filtered through a 0.45 mm polycarbonate membrane in order to separate the TiO2 powder from the solution.
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