(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H8ClF3O — CID 94905407

IUPAC(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1
InChIKeyIYYUIIVBJNRBSG-QMMMGPOBSA-N
MW224.61 g/mol
LogP2.81
Rot. Bonds2

About (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 94905407) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID94905407
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1
InChIKeyIYYUIIVBJNRBSG-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

3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905409
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
2-[(4-chlorophenyl)methyl]-3,3,3-trifluoropropanal
CID 115041825
(4-chlorophenyl)methyl-trihydroxyphosphanium
CID 57315316
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 94905407) is (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is IYYUIIVBJNRBSG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2/t8-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(4-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-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 94905407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).