1-[2-(trifluoromethyl)phenyl]butane-2,3-diol

C11H13F3O2 — CID 175401448

IUPAC1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
SMILESCC(O)C(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7(15)10(16)6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7,10,15-16H,6H2,1H3
InChIKeyXUCAXKGGLPXDNM-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol

1-[2-(trifluoromethyl)phenyl]butane-2,3-diol (PubChem CID 175401448) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
PubChem CID175401448
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
SMILESCC(O)C(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7(15)10(16)6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7,10,15-16H,6H2,1H3
InChIKeyXUCAXKGGLPXDNM-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(trifluoromethyl)phenyl]butane-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-phenyl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 25233734
2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548
1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 117289321
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
1-(2-bromo-3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 63530722
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171
(3S)-3-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 148776876
1-[3,5-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 173247455
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
CID 113352552
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol (CID 175401448) is 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol is CC(O)C(O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol?
The InChIKey is XUCAXKGGLPXDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-7(15)10(16)6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7,10,15-16H,6H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol?
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol has a molecular weight of 234.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]butane-2,3-diol is sourced from PubChem (CID 175401448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).