1-(2,2,2-trifluoroethyl)pyridin-4-one

C7H6F3NO — CID 21285111

IUPAC1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESO=c1ccn(CC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-11-3-1-6(12)2-4-11/h1-4H,5H2
InChIKeyPUHMSURCUYIQMD-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.41
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyridin-4-one

1-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 21285111) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID21285111
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESO=c1ccn(CC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-11-3-1-6(12)2-4-11/h1-4H,5H2
InChIKeyPUHMSURCUYIQMD-UHFFFAOYSA-N
XLogP1.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyridin-4-one (CID 21285111) is 1-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyridin-4-one is O=c1ccn(CC(F)(F)F)cc1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is PUHMSURCUYIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)5-11-3-1-6(12)2-4-11/h1-4H,5H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyridin-4-one?
1-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 177.12 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 21285111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).