(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol

C14H10F4O — CID 162539234

IUPAC(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H10F4O/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)9-5-2-1-3-6-9/h1-8,13,19H/t13-/m0/s1
InChIKeyNQJKWZXBUUVJOD-ZDUSSCGKSA-N
MW270.23 g/mol
LogP3.93
Rot. Bonds2

About (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol

(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol (PubChem CID 162539234) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
PubChem CID162539234
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H10F4O/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)9-5-2-1-3-6-9/h1-8,13,19H/t13-/m0/s1
InChIKeyNQJKWZXBUUVJOD-ZDUSSCGKSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine
CID 155557741
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 175976807
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
(2,3-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895919
1-[bis(phenylsulfanyl)methyl]-2-fluoro-3-(trifluoromethyl)benzene
CID 11047501
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263417

Frequently Asked Questions

What is the IUPAC name of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol?
The IUPAC name of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol (CID 162539234) is (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol.
What is the SMILES notation for (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol?
The canonical SMILES for (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol is O[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol?
The InChIKey is NQJKWZXBUUVJOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10F4O/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)9-5-2-1-3-6-9/h1-8,13,19H/t13-/m0/s1.
What are the key properties of (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol?
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol has a molecular weight of 270.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol is sourced from PubChem (CID 162539234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).