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

C7H5F4NO2 — CID 130092877

IUPAC5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CF)cc1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c8-2-4-1-5(6(13)12-3-4)14-7(9,10)11/h1,3H,2H2,(H,12,13)
InChIKeyJXXLFTCJRQGVII-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.74
Rot. Bonds2

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

5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130092877) has the molecular formula C7H5F4NO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130092877
Molecular FormulaC7H5F4NO2
Molecular Weight211.11 g/mol
Exact Mass211.03
IUPAC Name5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CF)cc1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c8-2-4-1-5(6(13)12-3-4)14-7(9,10)11/h1,3H,2H2,(H,12,13)
InChIKeyJXXLFTCJRQGVII-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

Analyze 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 130092877) is 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(CF)cc1OC(F)(F)F.
What is the InChIKey of 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is JXXLFTCJRQGVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2/c8-2-4-1-5(6(13)12-3-4)14-7(9,10)11/h1,3H,2H2,(H,12,13).
What are the key properties of 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-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 5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130092877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).