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

C7H4F5NO — CID 162414339

IUPAC1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1C(F)F
InChIInChI=1S/C7H4F5NO/c8-6(9)13-3-1-2-4(5(13)14)7(10,11)12/h1-3,6H
InChIKeyPUNLJYHUDGZLJN-UHFFFAOYSA-N
MW213.11 g/mol
LogP2.26
Rot. Bonds1

About 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one

1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 162414339) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID162414339
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Name1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1C(F)F
InChIInChI=1S/C7H4F5NO/c8-6(9)13-3-1-2-4(5(13)14)7(10,11)12/h1-3,6H
InChIKeyPUNLJYHUDGZLJN-UHFFFAOYSA-N
XLogP2.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one (CID 162414339) is 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is PUNLJYHUDGZLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-6(9)13-3-1-2-4(5(13)14)7(10,11)12/h1-3,6H.
What are the key properties of 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one?
1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 213.11 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 162414339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).