2,2,2-trifluoro-1-pyridin-4-ylethanol

C7H6F3NO — CID 59570372

IUPAC2,2,2-trifluoro-1-pyridin-4-ylethanol
SMILESOC(c1ccncc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-1-3-11-4-2-5/h1-4,6,12H
InChIKeyHWFCWJQZKAGODL-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.68
Rot. Bonds1

About 2,2,2-trifluoro-1-pyridin-4-ylethanol

2,2,2-trifluoro-1-pyridin-4-ylethanol (PubChem CID 59570372) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyridin-4-ylethanol
PubChem CID59570372
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2,2,2-trifluoro-1-pyridin-4-ylethanol
SMILESOC(c1ccncc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-1-3-11-4-2-5/h1-4,6,12H
InChIKeyHWFCWJQZKAGODL-UHFFFAOYSA-N
XLogP1.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyridin-4-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-pyridin-4-ylethanol (CID 59570372) is 2,2,2-trifluoro-1-pyridin-4-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-pyridin-4-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-pyridin-4-ylethanol is OC(c1ccncc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyridin-4-ylethanol?
The InChIKey is HWFCWJQZKAGODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-1-3-11-4-2-5/h1-4,6,12H.
What are the key properties of 2,2,2-trifluoro-1-pyridin-4-ylethanol?
2,2,2-trifluoro-1-pyridin-4-ylethanol has a molecular weight of 177.12 g/mol, XLogP of 1.68, 1 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-pyridin-4-ylethanol is sourced from PubChem (CID 59570372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).