(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol

C16H15F3O — CID 146163800

IUPAC(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@](O)(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O/c1-15(20,13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17,18)19/h2-10,20H,11H2,1H3/t15-/m0/s1
InChIKeyBGNVQUHCOVYZKK-HNNXBMFYSA-N
MW280.29 g/mol
LogP4.16
Rot. Bonds3

About (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol

(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 146163800) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID146163800
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@](O)(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O/c1-15(20,13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17,18)19/h2-10,20H,11H2,1H3/t15-/m0/s1
InChIKeyBGNVQUHCOVYZKK-HNNXBMFYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
ethane;bis(trifluoromethylbenzene)
CID 142912000
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 146163800) is (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol is C[C@](O)(Cc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is BGNVQUHCOVYZKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-15(20,13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17,18)19/h2-10,20H,11H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 280.29 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 146163800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).