Organofluorine / Alfa Chemistry
1-(4-Chloro-3-fluorophenyl)ethanone

1-(4-Chloro-3-fluorophenyl)ethanone

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1-(4-Chloro-3-fluorophenyl)ethanone
Catalog OFC151945845-2
CAS 151945-84-5
Category Fluorinated Ketones
Purity 98%
MDL Number MFCD04115858
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Chemical Data Computational Chemistry
Molecular Formula C8H6ClFO
Molecular Weight 172.58
Molar Refractivity 41.6
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 2.0
Veber 0.0
Consensus LogP 2.67
MLogP 2.79
SILICOS-IT 3.21
WLogP 3.1
XLogP3 2.33
iLogP 1.92
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.7 cm/s
P-gp Substrate No
Fraction Csp3 0.12

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