2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol

C7H6F3NO — CID 131499215

IUPAC2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol
SMILESOC(c1ncccc1F)C(F)F
InChIInChI=1S/C7H6F3NO/c8-4-2-1-3-11-5(4)6(12)7(9)10/h1-3,6-7,12H
InChIKeyQCZIKTIODJOMEU-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.52
Rot. Bonds2

About 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol

2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol (PubChem CID 131499215) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol
PubChem CID131499215
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol
SMILESOC(c1ncccc1F)C(F)F
InChIInChI=1S/C7H6F3NO/c8-4-2-1-3-11-5(4)6(12)7(9)10/h1-3,6-7,12H
InChIKeyQCZIKTIODJOMEU-UHFFFAOYSA-N
XLogP1.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(1,2,2,2-tetrafluoroethyl)pyridine
CID 23236381
3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol
CID 84653760
3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
CID 82920139
(3-fluoro-2-pyridinyl)-(1H-pyrrol-2-yl)methanol
CID 130528813
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
(2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol
CID 169261775
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 155255146
[(3-fluoro-2-pyridinyl)-methoxymethyl]phosphonic acid
CID 174048857
2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
CID 104571788
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
CID 114931671

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol (CID 131499215) is 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol is OC(c1ncccc1F)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol?
The InChIKey is QCZIKTIODJOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-4-2-1-3-11-5(4)6(12)7(9)10/h1-3,6-7,12H.
What are the key properties of 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol?
2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol has a molecular weight of 177.12 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 131499215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).