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

C7H4F5NO2 — CID 135362723

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

1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one (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 Name1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one
PubChem CID135362723
Molecular FormulaC7H4F5NO2
Molecular Weight229.10 g/mol
Exact Mass229.02
IUPAC Name1-(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
XLogP1.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one (CID 135362723) is 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one?
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 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one?
1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one 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 1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 135362723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).