Organofluorine / Alfa Chemistry
4,4,4-Trifluoro-2-(4-fluorophenyl)-3-oxobutanenitrile

4,4,4-Trifluoro-2-(4-fluorophenyl)-3-oxobutanenitrile

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4,4,4-Trifluoro-2-(4-fluorophenyl)-3-oxobutanenitrile
Catalog OFC3108234
CAS 3108-23-4
Category Fluorinated Nitriles
Purity 95%
MDL Number MFCD09878887
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Chemical Data Computational Chemistry
Molecular Formula C10H5F4NO
Molecular Weight 231.15
Molar Refractivity 45.93
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 2.8
MLogP 2.23
SILICOS-IT 3.23
WLogP 4.25
XLogP3 2.75
iLogP 1.54
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.76 cm/s
P-gp Substrate No
Fraction Csp3 0.2

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