(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one

C9H8F2O2 — CID 101087572

IUPAC(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
SMILESCC(=O)[C@@H](O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3/t9-/m1/s1
InChIKeyCFUOFGCWIVOULI-SECBINFHSA-N
MW186.16 g/mol
LogP1.59
Rot. Bonds2

About (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one

(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one (PubChem CID 101087572) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
PubChem CID101087572
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
SMILESCC(=O)[C@@H](O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3/t9-/m1/s1
InChIKeyCFUOFGCWIVOULI-SECBINFHSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-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

(2,4-difluorophenyl)methanediol
CID 91089962
1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688014
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one (CID 101087572) is (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one is CC(=O)[C@@H](O)c1ccc(F)cc1F.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one?
The InChIKey is CFUOFGCWIVOULI-SECBINFHSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one?
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one has a molecular weight of 186.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one is sourced from PubChem (CID 101087572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).