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

Name: Ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₆F₃NO — CID 157042101

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID	157042101
Molecular Formula	C₁₁H₁₆F₃NO
Molecular Weight	235.25 g/mol
Exact Mass	235.12
IUPAC Name	ethane;3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILES	CC.CCc1cc(C(F)(F)F)cn(C)c1=O
InChI	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
InChIKey	DRUOILZUNDTSAC-UHFFFAOYSA-N
XLogP	2.99
TPSA	22.00 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.25
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 157042101 — identifiers, structure, computed properties (public domain)

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