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

C8H4F7NO2 — CID 118837764

IUPAC2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)(F)F)c[nH]c(CF)c1OC(F)(F)F
InChIInChI=1S/C8H4F7NO2/c9-1-4-6(18-8(13,14)15)5(17)3(2-16-4)7(10,11)12/h2H,1H2,(H,16,17)
InChIKeyXZTGCDZPRUUKNH-UHFFFAOYSA-N
MW279.11 g/mol
LogP2.76
Rot. Bonds2

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

2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118837764) has the molecular formula C8H4F7NO2 and a molecular weight of 279.11 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118837764
Molecular FormulaC8H4F7NO2
Molecular Weight279.11 g/mol
Exact Mass279.01
IUPAC Name2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)(F)F)c[nH]c(CF)c1OC(F)(F)F
InChIInChI=1S/C8H4F7NO2/c9-1-4-6(18-8(13,14)15)5(17)3(2-16-4)7(10,11)12/h2H,1H2,(H,16,17)
InChIKeyXZTGCDZPRUUKNH-UHFFFAOYSA-N
XLogP2.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 90985226
2-(Aminomethyl)-5-(difluoromethyl)-4-hydroxy-3-methoxypyridine
CID 118803054
2-(Difluoromethyl)-4-hydroxy-5-methoxy-3-methylpyridine
CID 118803692
2-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118804580
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine-5-carboxaldehyde
CID 118809441
2-(chloromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118815539
2-(Difluoromethyl)-3,4-dihydroxy-5-methylpyridine
CID 118820345
2-(Difluoromethyl)-4-hydroxy-3-methyl-5-(trifluoromethoxy)pyridine
CID 118820372
4-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 118821696
2-[4-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 118821734
2-(Difluoromethyl)-4-hydroxy-5-(trifluoromethoxy)pyridine-3-acetonitrile
CID 118826131
2-(chloromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118827105

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one (CID 118837764) is 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(C(F)(F)F)c[nH]c(CF)c1OC(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is XZTGCDZPRUUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO2/c9-1-4-6(18-8(13,14)15)5(17)3(2-16-4)7(10,11)12/h2H,1H2,(H,16,17).
What are the key properties of 2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one?
2-(fluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 279.11 g/mol, XLogP of 2.76, 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)-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118837764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).