Organofluorine / Alfa Chemistry
1-[3-(Trifluoromethyl)phenyl]ethanol

1-[3-(Trifluoromethyl)phenyl]ethanol

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1-[3-(Trifluoromethyl)phenyl]ethanol
Catalog OFC454911-2
CAS 454-91-1
Category Fluorinated Aromatic Alcohols and Phenols
Purity 97%
MDL Number MFCD00021868
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C9H9F3O
Molecular Weight 190.16
Molar Refractivity 42.38
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 2.0
Veber 0.0
Consensus LogP 2.77
MLogP 2.91
SILICOS-IT 2.85
WLogP 3.59
XLogP3 2.32
iLogP 2.17
BBB Permeant Yes
CYP1A2 Inhibitor No
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.81 cm/s
P-gp Substrate No
Fraction Csp3 0.33
GHS Pictogram GHS07
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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