3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C8H8F3NO — CID 67345591

IUPAC3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3NO/c1-6-3-2-4-12(7(6)13)5-8(9,10)11/h2-4H,5H2,1H3
InChIKeyYGKPTODAFMYHGZ-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.72
Rot. Bonds1

About 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 67345591) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID67345591
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3NO/c1-6-3-2-4-12(7(6)13)5-8(9,10)11/h2-4H,5H2,1H3
InChIKeyYGKPTODAFMYHGZ-UHFFFAOYSA-N
XLogP1.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 67345591) is 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is Cc1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is YGKPTODAFMYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-6-3-2-4-12(7(6)13)5-8(9,10)11/h2-4H,5H2,1H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 67345591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).