6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C7H4F5NO — CID 130097113

IUPAC6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C(F)F)[nH]1
InChIInChI=1S/C7H4F5NO/c8-6(9)4-1-3(7(10,11)12)2-5(14)13-4/h1-2,6H,(H,13,14)
InChIKeyWQSQQOYCTJDZOK-UHFFFAOYSA-N
MW213.11 g/mol
LogP2.33
Rot. Bonds1

About 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130097113) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130097113
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Name6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C(F)F)[nH]1
InChIInChI=1S/C7H4F5NO/c8-6(9)4-1-3(7(10,11)12)2-5(14)13-4/h1-2,6H,(H,13,14)
InChIKeyWQSQQOYCTJDZOK-UHFFFAOYSA-N
XLogP2.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 130097113) is 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WQSQQOYCTJDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-6(9)4-1-3(7(10,11)12)2-5(14)13-4/h1-2,6H,(H,13,14).
What are the key properties of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 213.11 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130097113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).