(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol

C7H5F4NO — CID 124707954

IUPAC(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol
SMILESO[C@H](c1ccc(F)nc1)C(F)(F)F
InChIInChI=1S/C7H5F4NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3,6,13H/t6-/m1/s1
InChIKeyCQUSMANDIRLIEM-ZCFIWIBFSA-N
MW195.12 g/mol
LogP1.82
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol

(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol (PubChem CID 124707954) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol
PubChem CID124707954
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol
SMILESO[C@H](c1ccc(F)nc1)C(F)(F)F
InChIInChI=1S/C7H5F4NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3,6,13H/t6-/m1/s1
InChIKeyCQUSMANDIRLIEM-ZCFIWIBFSA-N
XLogP1.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanamine
CID 55296694
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
2,2,2-trifluoro-1-(4-sulfanylphenyl)ethanol
CID 90402537
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
1-(5-bromo-6-methylsulfanyl-3-pyridinyl)-2,2,2-trifluoroethanol
CID 164536497
2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid
CID 23092036
1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol
CID 89344316
1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
CID 20741103
(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
CID 89034053
(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
CID 11413331
1-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]sulfanylpyrrole-2,5-diol
CID 123962628

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol (CID 124707954) is (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol is O[C@H](c1ccc(F)nc1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol?
The InChIKey is CQUSMANDIRLIEM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3,6,13H/t6-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol?
(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol has a molecular weight of 195.12 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 124707954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).