4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one

C7H3F6NO — CID 118846245

IUPAC4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(C(F)(F)F)c(F)[nH]1
InChIInChI=1S/C7H3F6NO/c8-5(9)2-1-3(15)14-6(10)4(2)7(11,12)13/h1,5H,(H,14,15)
InChIKeyBLRMEJDGXHDGIU-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.47
Rot. Bonds1

About 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one

4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118846245) has the molecular formula C7H3F6NO and a molecular weight of 231.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118846245
Molecular FormulaC7H3F6NO
Molecular Weight231.10 g/mol
Exact Mass231.01
IUPAC Name4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(C(F)(F)F)c(F)[nH]1
InChIInChI=1S/C7H3F6NO/c8-5(9)2-1-3(15)14-6(10)4(2)7(11,12)13/h1,5H,(H,14,15)
InChIKeyBLRMEJDGXHDGIU-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one (CID 118846245) is 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)F)c(C(F)(F)F)c(F)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BLRMEJDGXHDGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO/c8-5(9)2-1-3(15)14-6(10)4(2)7(11,12)13/h1,5H,(H,14,15).
What are the key properties of 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 231.10 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118846245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).