1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one

C10H12F3NO — CID 145311455

IUPAC1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)cc(C)c(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-4-14-8(10(11,12)13)5-6(2)7(3)9(14)15/h5H,4H2,1-3H3
InChIKeyUFYAQEUCQWCHAN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.50
Rot. Bonds1

About 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one

1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 145311455) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID145311455
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)cc(C)c(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-4-14-8(10(11,12)13)5-6(2)7(3)9(14)15/h5H,4H2,1-3H3
InChIKeyUFYAQEUCQWCHAN-UHFFFAOYSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one (CID 145311455) is 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one is CCn1c(C(F)(F)F)cc(C)c(C)c1=O.
What is the InChIKey of 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is UFYAQEUCQWCHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-4-14-8(10(11,12)13)5-6(2)7(3)9(14)15/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one?
1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 145311455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).