5-ethenyl-1-(trifluoromethyl)pyridin-2-one

C8H6F3NO — CID 68756952

IUPAC5-ethenyl-1-(trifluoromethyl)pyridin-2-one
SMILESC=Cc1ccc(=O)n(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO/c1-2-6-3-4-7(13)12(5-6)8(9,10)11/h2-5H,1H2
InChIKeyGOJNSEGJLUJCJN-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.97
Rot. Bonds1

About 5-ethenyl-1-(trifluoromethyl)pyridin-2-one

5-ethenyl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 68756952) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-ethenyl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-ethenyl-1-(trifluoromethyl)pyridin-2-one
PubChem CID68756952
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name5-ethenyl-1-(trifluoromethyl)pyridin-2-one
SMILESC=Cc1ccc(=O)n(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO/c1-2-6-3-4-7(13)12(5-6)8(9,10)11/h2-5H,1H2
InChIKeyGOJNSEGJLUJCJN-UHFFFAOYSA-N
XLogP1.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-ethenyl-1-(trifluoromethyl)pyridin-2-one (CID 68756952) is 5-ethenyl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-ethenyl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-ethenyl-1-(trifluoromethyl)pyridin-2-one is C=Cc1ccc(=O)n(C(F)(F)F)c1.
What is the InChIKey of 5-ethenyl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is GOJNSEGJLUJCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-2-6-3-4-7(13)12(5-6)8(9,10)11/h2-5H,1H2.
What are the key properties of 5-ethenyl-1-(trifluoromethyl)pyridin-2-one?
5-ethenyl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 189.14 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 68756952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).