Organofluorine / Alfa Chemistry
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

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Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
Catalog OFC1999004
CAS 1999-00-4
Category Fluorinated Esters
Purity 96%
MDL Number MFCD03093631
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C11H11FO3
Molecular Weight 210.20
Molar Refractivity 52.3
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 2.25
MLogP 2.02
SILICOS-IT 2.74
WLogP 2.38
XLogP3 1.97
iLogP 2.13
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -6.18 cm/s
P-gp Substrate No
Fraction Csp3 0.27
GHS Pictogram GHS07
Hazard Statements H227-H302-H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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