Organofluorine / Alfa Chemistry
2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone

2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone

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2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone
Catalog OFC103962103-2
CAS 103962-10-3
Category Fluorinated Ethers
Purity 97%
MDL Number MFCD00052333
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Chemical Data Computational Chemistry
Molecular Formula C9H6BrF3O2
Molecular Weight 283.04
Molar Refractivity 51.19
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 3.18
MLogP 2.31
SILICOS-IT 3.31
WLogP 4.42
XLogP3 3.58
iLogP 2.28
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor Yes
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.48 cm/s
P-gp Substrate No
Fraction Csp3 0.22

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