2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one

C13H7F6NO — CID 118832989

IUPAC2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-3-1-7(2-4-8)10-5-9(21)6-11(20-10)13(17,18)19/h1-6H,(H,20,21)
InChIKeyUTOCZYNRRSDHOW-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.08
Rot. Bonds1

About 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one

2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one (PubChem CID 118832989) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
PubChem CID118832989
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-3-1-7(2-4-8)10-5-9(21)6-11(20-10)13(17,18)19/h1-6H,(H,20,21)
InChIKeyUTOCZYNRRSDHOW-UHFFFAOYSA-N
XLogP4.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The IUPAC name of 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one (CID 118832989) is 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]c(C(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The InChIKey is UTOCZYNRRSDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)8-3-1-7(2-4-8)10-5-9(21)6-11(20-10)13(17,18)19/h1-6H,(H,20,21).
What are the key properties of 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one has a molecular weight of 307.19 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 118832989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).