(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol

C9H9F3O — CID 54591246

IUPAC(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
SMILESO[C@@H](CC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1
InChIKeyFGQDXXGWOGKGBU-QMMMGPOBSA-N
MW190.16 g/mol
LogP2.67
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol

(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol (PubChem CID 54591246) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
PubChem CID54591246
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
SMILESO[C@@H](CC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1
InChIKeyFGQDXXGWOGKGBU-QMMMGPOBSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-3,3,3-trifluoro-1-phenylpropan-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)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
CID 164681881
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
5,5,5-trifluoro-1-phenylpentane-1,4-diol
CID 79423436
(5-bromo-1,1,1-trifluoropentan-3-yl)benzene
CID 54284721
1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 60689484
[3,3,3-trifluoro-1-[(3,3,3-trifluoro-1-phenylpropyl)disulfanyl]propyl]benzene
CID 87128309
(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
3-methyl-1-phenylpentane-1,3-diol
CID 173455419

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol?
The IUPAC name of (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol (CID 54591246) is (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol is O[C@@H](CC(F)(F)F)c1ccccc1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol?
The InChIKey is FGQDXXGWOGKGBU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol?
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol has a molecular weight of 190.16 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-phenylpropan-1-ol is sourced from PubChem (CID 54591246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).