1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

Name: 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₆F₃NO₂ — CID 157041509

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

IUPAC1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

SMILESCOCCn1cc(C(F)(F)F)cc(C(C)C)c1=O

InChIInChI=1S/C12H16F3NO2/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3/h6-8H,4-5H2,1-3H3

InChIKeyKEIKSFVGTBIARQ-UHFFFAOYSA-N

MW263.26 g/mol

LogP2.64

Rot. Bonds4

About 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041509) has the molecular formula C₁₂H₁₆F₃NO₂ and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name	1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID	157041509
Molecular Formula	C₁₂H₁₆F₃NO₂
Molecular Weight	263.26 g/mol
Exact Mass	263.11
IUPAC Name	1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILES	COCCn1cc(C(F)(F)F)cc(C(C)C)c1=O
InChI	InChI=1S/C12H16F3NO2/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3/h6-8H,4-5H2,1-3H3
InChIKey	KEIKSFVGTBIARQ-UHFFFAOYSA-N
XLogP	2.64
TPSA	31.23 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.26
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 157041509) is 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is COCCn1cc(C(F)(F)F)cc(C(C)C)c1=O.

What is the InChIKey of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?

The InChIKey is KEIKSFVGTBIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8(2)10-6-9(12(13,14)15)7-16(11(10)17)4-5-18-3/h6-8H,4-5H2,1-3H3.

What are the key properties of 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?

1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 157041509 — identifiers, structure, computed properties (public domain)

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