2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one

C9H10F3NO — CID 70935168

IUPAC2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1cn(CC(F)(F)F)c(C)cc1=O
InChIInChI=1S/C9H10F3NO/c1-6-4-13(5-9(10,11)12)7(2)3-8(6)14/h3-4H,5H2,1-2H3
InChIKeyCBRJOEFAKYGRJZ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.03
Rot. Bonds1

About 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one

2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 70935168) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID70935168
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1cn(CC(F)(F)F)c(C)cc1=O
InChIInChI=1S/C9H10F3NO/c1-6-4-13(5-9(10,11)12)7(2)3-8(6)14/h3-4H,5H2,1-2H3
InChIKeyCBRJOEFAKYGRJZ-UHFFFAOYSA-N
XLogP2.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one (CID 70935168) is 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one is Cc1cn(CC(F)(F)F)c(C)cc1=O.
What is the InChIKey of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is CBRJOEFAKYGRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6-4-13(5-9(10,11)12)7(2)3-8(6)14/h3-4H,5H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 205.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 70935168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).