5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile

C15H11F3N2O — CID 138968738

IUPAC5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile
SMILESC=CC1CC(C#N)(C#N)C(c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C15H11F3N2O/c1-2-12-8-13(9-19,10-20)14(21-12,15(16,17)18)11-6-4-3-5-7-11/h2-7,12H,1,8H2
InChIKeyYFKGZZQNFQGNAJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.45
Rot. Bonds2

About 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile

5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile (PubChem CID 138968738) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile.

Molecular Properties

Compound Name5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile
PubChem CID138968738
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile
SMILESC=CC1CC(C#N)(C#N)C(c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C15H11F3N2O/c1-2-12-8-13(9-19,10-20)14(21-12,15(16,17)18)11-6-4-3-5-7-11/h2-7,12H,1,8H2
InChIKeyYFKGZZQNFQGNAJ-UHFFFAOYSA-N
XLogP3.45
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile?
The IUPAC name of 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile (CID 138968738) is 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile.
What is the SMILES notation for 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile?
The canonical SMILES for 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile is C=CC1CC(C#N)(C#N)C(c2ccccc2)(C(F)(F)F)O1.
What is the InChIKey of 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile?
The InChIKey is YFKGZZQNFQGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-2-12-8-13(9-19,10-20)14(21-12,15(16,17)18)11-6-4-3-5-7-11/h2-7,12H,1,8H2.
What are the key properties of 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile?
5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile is sourced from PubChem (CID 138968738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).