1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one

C13H8F5NO — CID 122663095

IUPAC1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=c1ccn(C(F)F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F5NO/c14-12(15)19-5-4-10(20)7-11(19)8-2-1-3-9(6-8)13(16,17)18/h1-7,12H
InChIKeyMDGLTGXHBFMQFO-UHFFFAOYSA-N
MW289.20 g/mol
LogP3.93
Rot. Bonds2

About 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one

1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 122663095) has the molecular formula C13H8F5NO and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID122663095
Molecular FormulaC13H8F5NO
Molecular Weight289.20 g/mol
Exact Mass289.05
IUPAC Name1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=c1ccn(C(F)F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F5NO/c14-12(15)19-5-4-10(20)7-11(19)8-2-1-3-9(6-8)13(16,17)18/h1-7,12H
InChIKeyMDGLTGXHBFMQFO-UHFFFAOYSA-N
XLogP3.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 122663095) is 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one is O=c1ccn(C(F)F)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is MDGLTGXHBFMQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO/c14-12(15)19-5-4-10(20)7-11(19)8-2-1-3-9(6-8)13(16,17)18/h1-7,12H.
What are the key properties of 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one?
1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 289.20 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 122663095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).