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

C8H3F8NO2 — CID 134660918

IUPAC2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F8NO2/c9-6(10)4-5(19-8(14,15)16)2(18)1-3(17-4)7(11,12)13/h1,6H,(H,17,18)
InChIKeyNBFRTLRVQXMEIW-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.23
Rot. Bonds2

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

2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 134660918) has the molecular formula C8H3F8NO2 and a molecular weight of 297.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID134660918
Molecular FormulaC8H3F8NO2
Molecular Weight297.10 g/mol
Exact Mass297.00
IUPAC Name2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F8NO2/c9-6(10)4-5(19-8(14,15)16)2(18)1-3(17-4)7(11,12)13/h1,6H,(H,17,18)
InChIKeyNBFRTLRVQXMEIW-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

2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
2-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118825989
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
2-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 118826253
2-(difluoromethyl)-3-(hydroxymethyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130085372
3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118844262
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
6-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134677760
6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134679073
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (CID 134660918) is 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)(F)F)[nH]c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is NBFRTLRVQXMEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F8NO2/c9-6(10)4-5(19-8(14,15)16)2(18)1-3(17-4)7(11,12)13/h1,6H,(H,17,18).
What are the key properties of 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-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 2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 134660918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).