Organofluorine / Alfa Chemistry
4-(Trifluoromethyl)cyclohexanone

4-(Trifluoromethyl)cyclohexanone

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4-(Trifluoromethyl)cyclohexanone
Catalog OFC75091995-1
CAS 75091-99-5
Category Fluorinated Aliphatic Cyclic Hydrocarbons
Purity 95%
MDL Number MFCD00102145
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C7H9F3O
Molecular Weight 166.14
Molar Refractivity 34.04
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 2.0
Veber 0.0
Consensus LogP 2.33
MLogP 1.84
SILICOS-IT 2.62
WLogP 3.57
XLogP3 1.96
iLogP 1.63
BBB Permeant Yes
CYP1A2 Inhibitor No
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.92 cm/s
P-gp Substrate No
Fraction Csp3 0.86
GHS Pictogram GHS02; GHS07
Hazard Statements H225-H315-H319-H335
Packing Group
Precautionary Statements P261-P305+P351+P338

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