Organofluorine / Alfa Chemistry
7-(Trifluoromethyl)chroman-4-one

7-(Trifluoromethyl)chroman-4-one

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7-(Trifluoromethyl)chroman-4-one
Catalog OFC111141027
CAS 111141-02-7
Category Fluorinated Ketones
Purity 97%
MDL Number MFCD09998165
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C10H7F3O2
Molecular Weight 216.16
Molar Refractivity 46.02
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 2.7
MLogP 2.05
SILICOS-IT 3.36
WLogP 3.82
XLogP3 2.26
iLogP 2.01
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -6.01 cm/s
P-gp Substrate No
Fraction Csp3 0.3
GHS Pictogram GHS07
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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