2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one

C12H8F3NO — CID 69093077

IUPAC2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cccc(C(F)F)c2F)c1
InChIInChI=1S/C12H8F3NO/c13-11-8(2-1-3-9(11)12(14)15)10-6-7(17)4-5-16-10/h1-6,12H,(H,16,17)
InChIKeyWFKFAQXTODOXDI-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.12
Rot. Bonds2

About 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one

2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one (PubChem CID 69093077) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one
PubChem CID69093077
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cccc(C(F)F)c2F)c1
InChIInChI=1S/C12H8F3NO/c13-11-8(2-1-3-9(11)12(14)15)10-6-7(17)4-5-16-10/h1-6,12H,(H,16,17)
InChIKeyWFKFAQXTODOXDI-UHFFFAOYSA-N
XLogP3.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one?
The IUPAC name of 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one (CID 69093077) is 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one is O=c1cc[nH]c(-c2cccc(C(F)F)c2F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one?
The InChIKey is WFKFAQXTODOXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-11-8(2-1-3-9(11)12(14)15)10-6-7(17)4-5-16-10/h1-6,12H,(H,16,17).
What are the key properties of 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one?
2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one has a molecular weight of 239.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-fluorophenyl]-1H-pyridin-4-one is sourced from PubChem (CID 69093077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).