1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol

C15H13F3O2 — CID 103459409

IUPAC1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3O2/c16-15(17,18)12-9-5-4-8-11(12)14(20)13(19)10-6-2-1-3-7-10/h1-9,13-14,19-20H
InChIKeyKCFNWENXENPTKQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.47
Rot. Bonds3

About 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol

1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol (PubChem CID 103459409) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
PubChem CID103459409
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3O2/c16-15(17,18)12-9-5-4-8-11(12)14(20)13(19)10-6-2-1-3-7-10/h1-9,13-14,19-20H
InChIKeyKCFNWENXENPTKQ-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10243770
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene
CID 91336792
(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol
CID 72713135
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
1,2-diphenylethane-1,2-diol
CID 159073808
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
3,4-dihydroxy-4-[2-(trifluoromethyl)phenyl]butanenitrile
CID 171901212

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol (CID 103459409) is 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol is OC(c1ccccc1)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol?
The InChIKey is KCFNWENXENPTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c16-15(17,18)12-9-5-4-8-11(12)14(20)13(19)10-6-2-1-3-7-10/h1-9,13-14,19-20H.
What are the key properties of 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol?
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol has a molecular weight of 282.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 103459409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).