1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one

C8H8F3NO — CID 143318225

IUPAC1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCn1cc(CC(F)(F)F)ccc1=O
InChIInChI=1S/C8H8F3NO/c1-12-5-6(2-3-7(12)13)4-8(9,10)11/h2-3,5H,4H2,1H3
InChIKeyCNRPARWVPWWHGF-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.49
Rot. Bonds1

About 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one

1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 143318225) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID143318225
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCn1cc(CC(F)(F)F)ccc1=O
InChIInChI=1S/C8H8F3NO/c1-12-5-6(2-3-7(12)13)4-8(9,10)11/h2-3,5H,4H2,1H3
InChIKeyCNRPARWVPWWHGF-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one (CID 143318225) is 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one is Cn1cc(CC(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is CNRPARWVPWWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-12-5-6(2-3-7(12)13)4-8(9,10)11/h2-3,5H,4H2,1H3.
What are the key properties of 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one?
1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 143318225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).