3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H3F6NO2 — CID 118799253

IUPAC3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(OC(F)(F)F)cc(F)c1C(F)F
InChIInChI=1S/C7H3F6NO2/c8-2-1-3(16-7(11,12)13)14-6(15)4(2)5(9)10/h1,5H,(H,14,15)
InChIKeyLMWXADSCYTZOJX-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.35
Rot. Bonds2

About 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one

3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118799253) has the molecular formula C7H3F6NO2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118799253
Molecular FormulaC7H3F6NO2
Molecular Weight247.09 g/mol
Exact Mass247.01
IUPAC Name3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(OC(F)(F)F)cc(F)c1C(F)F
InChIInChI=1S/C7H3F6NO2/c8-2-1-3(16-7(11,12)13)14-6(15)4(2)5(9)10/h1,5H,(H,14,15)
InChIKeyLMWXADSCYTZOJX-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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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118799253) is 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]c(OC(F)(F)F)cc(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is LMWXADSCYTZOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO2/c8-2-1-3(16-7(11,12)13)14-6(15)4(2)5(9)10/h1,5H,(H,14,15).
What are the key properties of 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one?
3-(difluoromethyl)-4-fluoro-6-(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 3-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118799253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).