(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one

C15H11F3O2 — CID 134967315

IUPAC(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C15H11F3O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,14,20H/t14-/m0/s1
InChIKeyROAJKMFHYAWBEO-AWEZNQCLSA-N
MW280.25 g/mol
LogP3.38
Rot. Bonds4

About (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one

(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one (PubChem CID 134967315) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
PubChem CID134967315
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C15H11F3O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,14,20H/t14-/m0/s1
InChIKeyROAJKMFHYAWBEO-AWEZNQCLSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide
CID 163265678
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
2,2-difluoro-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-1-phenylpropan-1-one
CID 164671794
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619
2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone
CID 103596177
(2S,3S)-2-bromo-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 46868148
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
CID 139124035
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one?
The IUPAC name of (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one (CID 134967315) is (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)(F)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one?
The InChIKey is ROAJKMFHYAWBEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,14,20H/t14-/m0/s1.
What are the key properties of (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one?
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one has a molecular weight of 280.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 134967315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).