1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane

C10H14F3NO — CID 170583132

IUPAC1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane
SMILESCC.Cc1cn(C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H8F3NO.C2H6/c1-5-4-12(2)7(3-6(5)13)8(9,10)11;1-2/h3-4H,1-2H3;1-2H3
InChIKeyHWNOAHLYCDESBZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.74
Rot. Bonds

About 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane

1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane (PubChem CID 170583132) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane.

Molecular Properties

Compound Name1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane
PubChem CID170583132
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane
SMILESCC.Cc1cn(C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H8F3NO.C2H6/c1-5-4-12(2)7(3-6(5)13)8(9,10)11;1-2/h3-4H,1-2H3;1-2H3
InChIKeyHWNOAHLYCDESBZ-UHFFFAOYSA-N
XLogP2.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane?
The IUPAC name of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane (CID 170583132) is 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane.
What is the SMILES notation for 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane?
The canonical SMILES for 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane is CC.Cc1cn(C)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane?
The InChIKey is HWNOAHLYCDESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C2H6/c1-5-4-12(2)7(3-6(5)13)8(9,10)11;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane?
1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane has a molecular weight of 221.22 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane is sourced from PubChem (CID 170583132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).