2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H5F4NO2 — CID 130092859

IUPAC2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(CF)c1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c8-3-4-6(14-7(9,10)11)5(13)1-2-12-4/h1-2H,3H2,(H,12,13)
InChIKeyLHQMNOJCKGJKIV-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.74
Rot. Bonds2

About 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one

2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130092859) has the molecular formula C7H5F4NO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130092859
Molecular FormulaC7H5F4NO2
Molecular Weight211.11 g/mol
Exact Mass211.03
IUPAC Name2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(CF)c1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c8-3-4-6(14-7(9,10)11)5(13)1-2-12-4/h1-2H,3H2,(H,12,13)
InChIKeyLHQMNOJCKGJKIV-UHFFFAOYSA-N
XLogP1.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
3,4-Dihydroxy-2-(trifluoromethyl)pyridine
CID 44192511
2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 67282122
4-Hydroxy-3-methoxy-2-(trifluoromethyl)pyridine
CID 69022654
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
CID 143248071
4-Hydroxy-5-methoxy-2-(trifluoromethyl)pyridine
CID 102030325
2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803172
2-(Difluoromethyl)-4-hydroxy-3-iodo-5-(trifluoromethoxy)pyridine
CID 118814945
2-[4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 118816121
5-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118821782
3-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118833179
2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 118837764

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 130092859) is 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc[nH]c(CF)c1OC(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is LHQMNOJCKGJKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2/c8-3-4-6(14-7(9,10)11)5(13)1-2-12-4/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 211.11 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130092859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).