1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol

C12H16F2O2 — CID 103456481

IUPAC1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2O2/c1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11-12,15-16H,6H2,1-2H3
InChIKeyYFTCUUZYAVGPRD-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.89
Rot. Bonds4

About 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol

1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol (PubChem CID 103456481) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
PubChem CID103456481
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2O2/c1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11-12,15-16H,6H2,1-2H3
InChIKeyYFTCUUZYAVGPRD-UHFFFAOYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol 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

1-(3,4-difluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457159
3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
CID 82919491
1-(3,4-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713006
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448967
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
2-[(3,4-difluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 83139263
3-(3,4-difluorophenyl)-2-hydroxypropanenitrile
CID 141475699
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol?
The IUPAC name of 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol (CID 103456481) is 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol is CC(C)C(O)C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol?
The InChIKey is YFTCUUZYAVGPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11-12,15-16H,6H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol?
1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol has a molecular weight of 230.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol is sourced from PubChem (CID 103456481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).