5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one

C7H6F3NO2 — CID 10607802

IUPAC5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(O)C(F)(F)F)c[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)6(13)4-1-2-5(12)11-3-4/h1-3,6,13H,(H,11,12)
InChIKeyOVJWWABLZBFTGJ-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.97
Rot. Bonds1

About 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one

5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one (PubChem CID 10607802) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one
PubChem CID10607802
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(O)C(F)(F)F)c[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)6(13)4-1-2-5(12)11-3-4/h1-3,6,13H,(H,11,12)
InChIKeyOVJWWABLZBFTGJ-UHFFFAOYSA-N
XLogP0.97
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one (CID 10607802) is 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one is O=c1ccc(C(O)C(F)(F)F)c[nH]1.
What is the InChIKey of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one?
The InChIKey is OVJWWABLZBFTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)6(13)4-1-2-5(12)11-3-4/h1-3,6,13H,(H,11,12).
What are the key properties of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one?
5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one is sourced from PubChem (CID 10607802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).