(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H8ClF3O — CID 94905409

IUPAC(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](Cc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-2-6(4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1
InChIKeySVEIEDFKSFGRES-QMMMGPOBSA-N
MW224.61 g/mol
LogP2.81
Rot. Bonds2

About (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol

(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 94905409) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID94905409
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](Cc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-2-6(4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1
InChIKeySVEIEDFKSFGRES-QMMMGPOBSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol
CID 115042879
(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63345855
1-[(2R)-1-(3-chlorophenyl)propan-2-yl]-3-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 97215000
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
1-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 63016982
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
1-(3-chlorophenyl)-3,3-difluorobutan-2-amine
CID 84685245
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 94905409) is (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol is O[C@@H](Cc1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is SVEIEDFKSFGRES-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-7-3-1-2-6(4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1.
What are the key properties of (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 224.61 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 94905409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).