2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol

C13H10F3NO — CID 2760796

IUPAC2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
SMILESOC(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
InChIKeyHBBUSJQQSLFOCA-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.88
Rot. Bonds2

About 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol

2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol (PubChem CID 2760796) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
PubChem CID2760796
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
SMILESOC(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
InChIKeyHBBUSJQQSLFOCA-UHFFFAOYSA-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

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CID 3162
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Pirmenol Hydrochloride
CID 65501
Cyprolidol
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alpha-Phenyl-4-pyridinemethanol
CID 98305
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
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CID 80479
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol (CID 2760796) is 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol is OC(c1ccccc1)(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
The InChIKey is HBBUSJQQSLFOCA-UHFFFAOYSA-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.
What are the key properties of 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol?
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 2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol is sourced from PubChem (CID 2760796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).