1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one

C16H14F2O2 — CID 75056323

IUPAC1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H14F2O2/c1-10(15(19)11-2-6-13(17)7-3-11)16(20)12-4-8-14(18)9-5-12/h2-10,15,19H,1H3
InChIKeyPGQVGQUWUHIMKZ-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.52
Rot. Bonds4

About 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one

1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one (PubChem CID 75056323) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
PubChem CID75056323
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H14F2O2/c1-10(15(19)11-2-6-13(17)7-3-11)16(20)12-4-8-14(18)9-5-12/h2-10,15,19H,1H3
InChIKeyPGQVGQUWUHIMKZ-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
4-(4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414690
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
(2S,3S)-2-bromo-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 46868148
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
CID 163672048
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 44629566

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one (CID 75056323) is 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one is CC(C(=O)c1ccc(F)cc1)C(O)c1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one?
The InChIKey is PGQVGQUWUHIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-10(15(19)11-2-6-13(17)7-3-11)16(20)12-4-8-14(18)9-5-12/h2-10,15,19H,1H3.
What are the key properties of 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one?
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one has a molecular weight of 276.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 75056323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).