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

C8H6F3NO2 — CID 177032160

IUPAC5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESC=Cc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2/c1-2-5-3-6(7(13)12-4-5)14-8(9,10)11/h2-4H,1H2,(H,12,13)
InChIKeyVZMYDKNSTWGDBG-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.92
Rot. Bonds2

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

5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 177032160) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID177032160
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESC=Cc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2/c1-2-5-3-6(7(13)12-4-5)14-8(9,10)11/h2-4H,1H2,(H,12,13)
InChIKeyVZMYDKNSTWGDBG-UHFFFAOYSA-N
XLogP1.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 177032160) is 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one is C=Cc1c[nH]c(=O)c(OC(F)(F)F)c1.
What is the InChIKey of 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is VZMYDKNSTWGDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-2-5-3-6(7(13)12-4-5)14-8(9,10)11/h2-4H,1H2,(H,12,13).
What are the key properties of 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 205.13 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 177032160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).