ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one

C11H16F3NO — CID 157042101

IUPACethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CCc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C9H10F3NO.C2H6/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyDRUOILZUNDTSAC-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.99
Rot. Bonds1

About ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one

ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157042101) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157042101
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Nameethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CCc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C9H10F3NO.C2H6/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyDRUOILZUNDTSAC-UHFFFAOYSA-N
XLogP2.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 157042101) is ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is CC.CCc1cc(C(F)(F)F)cn(C)c1=O.
What is the InChIKey of ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DRUOILZUNDTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.C2H6/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 235.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157042101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).