XOWVAOXKZYYSLM-UHFFFAOYSA-N

Name: XOWVAOXKZYYSLM-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₄F₅NO₂ — CID 135362723

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

IUPAC1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one

SMILESO=c1c(C(F)(F)F)cccn1OC(F)F

InChIInChI=1S/C7H4F5NO2/c8-6(9)15-13-3-1-2-4(5(13)14)7(10,11)12/h1-3,6H

InChIKeyXOWVAOXKZYYSLM-UHFFFAOYSA-N

MW229.10 g/mol

LogP1.52

Rot. Bonds2

About XOWVAOXKZYYSLM-UHFFFAOYSA-N

XOWVAOXKZYYSLM-UHFFFAOYSA-N (PubChem CID 135362723) has the molecular formula C₇H₄F₅NO₂ and a molecular weight of 229.10 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name	XOWVAOXKZYYSLM-UHFFFAOYSA-N
PubChem CID	135362723
Molecular Formula	C₇H₄F₅NO₂
Molecular Weight	229.10 g/mol
Exact Mass	229.02
IUPAC Name	1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one
SMILES	O=c1c(C(F)(F)F)cccn1OC(F)F
InChI	InChI=1S/C7H4F5NO2/c8-6(9)15-13-3-1-2-4(5(13)14)7(10,11)12/h1-3,6H
InChIKey	XOWVAOXKZYYSLM-UHFFFAOYSA-N
XLogP	1.52
TPSA	31.23 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.10
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of XOWVAOXKZYYSLM-UHFFFAOYSA-N?

The IUPAC name of XOWVAOXKZYYSLM-UHFFFAOYSA-N (CID 135362723) is 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for XOWVAOXKZYYSLM-UHFFFAOYSA-N?

The canonical SMILES for XOWVAOXKZYYSLM-UHFFFAOYSA-N is O=c1c(C(F)(F)F)cccn1OC(F)F.

What is the InChIKey of XOWVAOXKZYYSLM-UHFFFAOYSA-N?

The InChIKey is XOWVAOXKZYYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO2/c8-6(9)15-13-3-1-2-4(5(13)14)7(10,11)12/h1-3,6H.

What are the key properties of XOWVAOXKZYYSLM-UHFFFAOYSA-N?

XOWVAOXKZYYSLM-UHFFFAOYSA-N has a molecular weight of 229.10 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for XOWVAOXKZYYSLM-UHFFFAOYSA-N is sourced from PubChem (CID 135362723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135362723 — identifiers, structure, computed properties (public domain)

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