5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one

C7H3F6NO2 — CID 118833182

IUPAC5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(F)c1OC(F)(F)F
InChIInChI=1S/C7H3F6NO2/c8-3-2(5(9)10)1-14-6(15)4(3)16-7(11,12)13/h1,5H,(H,14,15)
InChIKeyWATNVQWMFISXFM-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.35
Rot. Bonds2

About 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one

5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118833182) has the molecular formula C7H3F6NO2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118833182
Molecular FormulaC7H3F6NO2
Molecular Weight247.09 g/mol
Exact Mass247.01
IUPAC Name5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(F)c1OC(F)(F)F
InChIInChI=1S/C7H3F6NO2/c8-3-2(5(9)10)1-14-6(15)4(3)16-7(11,12)13/h1,5H,(H,14,15)
InChIKeyWATNVQWMFISXFM-UHFFFAOYSA-N
XLogP2.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130092983
5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 177032160
4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 118806028
4-Bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118806030
4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806046
4-(Difluoromethyl)-5-methylpyridine-2,3-diol
CID 118806228
4-(Difluoromethyl)-3-methoxy-5-methylpyridin-2-ol
CID 118806804
4-Bromo-5-(difluoromethyl)-3-methoxypyridin-2-ol
CID 118811677
4-Amino-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118817785
4-(Difluoromethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-ol
CID 118818112
4-(Difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-ol
CID 118818282

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118833182) is 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(F)c1OC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is WATNVQWMFISXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO2/c8-3-2(5(9)10)1-14-6(15)4(3)16-7(11,12)13/h1,5H,(H,14,15).
What are the key properties of 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 247.09 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118833182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).