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

C8H3F8NO2 — CID 118818282

IUPAC4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F8NO2/c9-5(10)3-2(7(11,12)13)1-17-6(18)4(3)19-8(14,15)16/h1,5H,(H,17,18)
InChIKeyRDVNSNYFLGSATH-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.23
Rot. Bonds2

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

4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118818282) has the molecular formula C8H3F8NO2 and a molecular weight of 297.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118818282
Molecular FormulaC8H3F8NO2
Molecular Weight297.10 g/mol
Exact Mass297.00
IUPAC Name4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F8NO2/c9-5(10)3-2(7(11,12)13)1-17-6(18)4(3)19-8(14,15)16/h1,5H,(H,17,18)
InChIKeyRDVNSNYFLGSATH-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-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 177032160
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridin-2-ol
CID 118801175
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)-3-methoxy-5-methylpyridin-2-ol
CID 118806804
4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817367
4-Amino-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118817785
4-(Difluoromethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-ol
CID 118818112
4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118818324
4-(Difluoromethyl)-6-hydroxy-5-(trifluoromethoxy)nicotinaldehyde
CID 118823188

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 118818282) is 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is RDVNSNYFLGSATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F8NO2/c9-5(10)3-2(7(11,12)13)1-17-6(18)4(3)19-8(14,15)16/h1,5H,(H,17,18).
What are the key properties of 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-3-(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 4-(difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118818282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).