(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol

C13H10F3NO — CID 7018024

IUPAC(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
SMILESO[C@@](c1ccccc1)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12(18,10-6-2-1-3-7-10)11-8-4-5-9-17-11/h1-9,18H/t12-/m0/s1
InChIKeyHBBUSJQQSLFOCA-LBPRGKRZSA-N
MW253.22 g/mol
LogP2.88
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol

(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol (PubChem CID 7018024) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
PubChem CID7018024
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
SMILESO[C@@](c1ccccc1)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12(18,10-6-2-1-3-7-10)11-8-4-5-9-17-11/h1-9,18H/t12-/m0/s1
InChIKeyHBBUSJQQSLFOCA-LBPRGKRZSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
bis(tert-butylbenzene);bis(2-tert-butylpyridine);ethane;1,1,1-trifluoroethane
CID 158321233
1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol
CID 162511344
fluoro(pyridin-2-yl)methanediamine
CID 67406744
2-[dichloro(phenyl)methyl]pyridine
CID 25254083
1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol
CID 146397118
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
difluoro(pyridin-2-yl)methanamine
CID 83854913
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol
CID 153440698
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
(4-chlorophenyl)-dipyridin-2-ylmethanol
CID 142751464

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol (CID 7018024) is (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol is O[C@@](c1ccccc1)(c1ccccn1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
The InChIKey is HBBUSJQQSLFOCA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)12(18,10-6-2-1-3-7-10)11-8-4-5-9-17-11/h1-9,18H/t12-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol has a molecular weight of 253.22 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol is sourced from PubChem (CID 7018024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).