3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

C7H6F3NO2 — CID 140672179

IUPAC3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-13-5-2-1-3-11-6(5)12/h1-3H,4H2,(H,11,12)
InChIKeyFYQNADPNTMABRW-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.32
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (PubChem CID 140672179) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
PubChem CID140672179
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-13-5-2-1-3-11-6(5)12/h1-3H,4H2,(H,11,12)
InChIKeyFYQNADPNTMABRW-UHFFFAOYSA-N
XLogP1.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (CID 140672179) is 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is O=c1[nH]cccc1OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The InChIKey is FYQNADPNTMABRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)4-13-5-2-1-3-11-6(5)12/h1-3H,4H2,(H,11,12).
What are the key properties of 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 140672179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).