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

C7H5F4NO2 — CID 118806046

IUPAC4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(CF)c1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c8-3-4-1-2-12-6(13)5(4)14-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyUCARPJQOVBOKMS-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.74
Rot. Bonds2

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

4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118806046) has the molecular formula C7H5F4NO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118806046
Molecular FormulaC7H5F4NO2
Molecular Weight211.11 g/mol
Exact Mass211.03
IUPAC Name4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(CF)c1OC(F)(F)F
InChIInChI=1S/C7H5F4NO2/c8-3-4-1-2-12-6(13)5(4)14-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyUCARPJQOVBOKMS-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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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118806046) is 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]ccc(CF)c1OC(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is UCARPJQOVBOKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2/c8-3-4-1-2-12-6(13)5(4)14-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
4-(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 4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118806046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).