6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one

C12H9F3O3 — CID 134590956

IUPAC6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one
SMILESC=Cc1oc(=O)c(C(=O)C(F)(F)F)cc1/C=C\C
InChIInChI=1S/C12H9F3O3/c1-3-5-7-6-8(10(16)12(13,14)15)11(17)18-9(7)4-2/h3-6H,2H2,1H3/b5-3-
InChIKeyMAPPGKKQOWUVRT-HYXAFXHYSA-N
MW258.19 g/mol
LogP3.06
Rot. Bonds3

About 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one

6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one (PubChem CID 134590956) has the molecular formula C12H9F3O3 and a molecular weight of 258.19 g/mol. Its IUPAC name is 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one.

Molecular Properties

Compound Name6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one
PubChem CID134590956
Molecular FormulaC12H9F3O3
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one
SMILESC=Cc1oc(=O)c(C(=O)C(F)(F)F)cc1/C=C\C
InChIInChI=1S/C12H9F3O3/c1-3-5-7-6-8(10(16)12(13,14)15)11(17)18-9(7)4-2/h3-6H,2H2,1H3/b5-3-
InChIKeyMAPPGKKQOWUVRT-HYXAFXHYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one?
The IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one (CID 134590956) is 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one.
What is the SMILES notation for 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one?
The canonical SMILES for 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one is C=Cc1oc(=O)c(C(=O)C(F)(F)F)cc1/C=C\C.
What is the InChIKey of 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one?
The InChIKey is MAPPGKKQOWUVRT-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H9F3O3/c1-3-5-7-6-8(10(16)12(13,14)15)11(17)18-9(7)4-2/h3-6H,2H2,1H3/b5-3-.
What are the key properties of 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one?
6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one has a molecular weight of 258.19 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroacetyl)pyran-2-one is sourced from PubChem (CID 134590956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).