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

C8H3F8NO2 — CID 134679073

IUPAC6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(OC(F)(F)F)c(C(F)(F)F)c(C(F)F)[nH]1
InChIInChI=1S/C8H3F8NO2/c9-6(10)5-4(7(11,12)13)2(1-3(18)17-5)19-8(14,15)16/h1,6H,(H,17,18)
InChIKeyRFOLIUVUCOLUER-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.23
Rot. Bonds2

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

6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 134679073) has the molecular formula C8H3F8NO2 and a molecular weight of 297.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID134679073
Molecular FormulaC8H3F8NO2
Molecular Weight297.10 g/mol
Exact Mass297.00
IUPAC Name6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(OC(F)(F)F)c(C(F)(F)F)c(C(F)F)[nH]1
InChIInChI=1S/C8H3F8NO2/c9-6(10)5-4(7(11,12)13)2(1-3(18)17-5)19-8(14,15)16/h1,6H,(H,17,18)
InChIKeyRFOLIUVUCOLUER-UHFFFAOYSA-N
XLogP3.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118837677
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
2-[3-(difluoromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134660016
5-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134680411
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131214048
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134681331
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
methyl 6-oxo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134664543

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 134679073) is 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(OC(F)(F)F)c(C(F)(F)F)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is RFOLIUVUCOLUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F8NO2/c9-6(10)5-4(7(11,12)13)2(1-3(18)17-5)19-8(14,15)16/h1,6H,(H,17,18).
What are the key properties of 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 297.10 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 134679073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).