1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol

C11H12F4O3S — CID 115351041

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4O3S/c1-19(17,18)3-2-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6,10,16H,2-3H2,1H3
InChIKeyJEUZOQUGKIASOW-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.31
Rot. Bonds4

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol

1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol (PubChem CID 115351041) has the molecular formula C11H12F4O3S and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
PubChem CID115351041
Molecular FormulaC11H12F4O3S
Molecular Weight300.27 g/mol
Exact Mass300.04
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4O3S/c1-19(17,18)3-2-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6,10,16H,2-3H2,1H3
InChIKeyJEUZOQUGKIASOW-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol 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

(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide
CID 59897074
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol
CID 115351116
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 115351272
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351165
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol (CID 115351041) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol is CS(=O)(=O)CCC(O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol?
The InChIKey is JEUZOQUGKIASOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O3S/c1-19(17,18)3-2-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6,10,16H,2-3H2,1H3.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol has a molecular weight of 300.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 115351041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).