(2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one

C16H14F2O3 — CID 138964659

IUPAC(2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one
SMILESO=C(c1ccccc1F)[C@@H](c1ccccc1F)[C@H](O)CO
InChIInChI=1S/C16H14F2O3/c17-12-7-3-1-5-10(12)15(14(20)9-19)16(21)11-6-2-4-8-13(11)18/h1-8,14-15,19-20H,9H2/t14-,15+/m1/s1
InChIKeyAYGAFWOQADYIHZ-CABCVRRESA-N
MW292.28 g/mol
LogP2.28
Rot. Bonds5

About (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one

(2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one (PubChem CID 138964659) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one.

Molecular Properties

Compound Name(2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one
PubChem CID138964659
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name(2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one
SMILESO=C(c1ccccc1F)[C@@H](c1ccccc1F)[C@H](O)CO
InChIInChI=1S/C16H14F2O3/c17-12-7-3-1-5-10(12)15(14(20)9-19)16(21)11-6-2-4-8-13(11)18/h1-8,14-15,19-20H,9H2/t14-,15+/m1/s1
InChIKeyAYGAFWOQADYIHZ-CABCVRRESA-N
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Bis(3-fluorophenyl)-2-hydroxyethanone
CID 10868634
1,2-Bis(2-fluorophenyl)-2-hydroxyethanone
CID 19971657
Usaf DO-2
CID 101556
2,3-Dihydroxy-1,3-diphenyl-1-propanone
CID 5316933
2-[(3-Fluorophenyl)-hydroxymethyl]naphthalene-1,4-dione
CID 71652181
2-[(4-Fluorophenyl)-hydroxymethyl]naphthalene-1,4-dione
CID 71654511
4-(3,4-Difluoro-phenyl)-2-hydroxy-4-oxo-butyric acid
CID 10059722
1-[4-(2,4-Difluorophenyl)phenyl]-6-hydroxyhexan-1-one
CID 49866043
4,4,4-Trifluoro-3-hydroxy-1-phenylbutan-1-one
CID 10220046
3-Hydroxy-1,5-diphenyl-1-pentanone
CID 11021438
1,2-Bis(4-fluorophenyl)-2-hydroxyethanone
CID 103786
4-Hydroxy-4-phenylbutyrophenone
CID 344857

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one?
The IUPAC name of (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one (CID 138964659) is (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one.
What is the SMILES notation for (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one?
The canonical SMILES for (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one is O=C(c1ccccc1F)[C@@H](c1ccccc1F)[C@H](O)CO.
What is the InChIKey of (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one?
The InChIKey is AYGAFWOQADYIHZ-CABCVRRESA-N. The full InChI is InChI=1S/C16H14F2O3/c17-12-7-3-1-5-10(12)15(14(20)9-19)16(21)11-6-2-4-8-13(11)18/h1-8,14-15,19-20H,9H2/t14-,15+/m1/s1.
What are the key properties of (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one?
(2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one has a molecular weight of 292.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,2-bis(2-fluorophenyl)-3,4-dihydroxybutan-1-one is sourced from PubChem (CID 138964659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).