[(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate

C20H20F3NO — CID 10760059

IUPAC[(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate
SMILESCCC/C=C/CO/C(=N\c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H20F3NO/c1-2-3-4-8-15-25-19(16-9-6-5-7-10-16)24-18-13-11-17(12-14-18)20(21,22)23/h4-14H,2-3,15H2,1H3/b8-4+,24-19-
InChIKeyWLZLIINDLVRUBW-FRYCZZRTSA-N
MW347.38 g/mol
LogP6.16
Rot. Bonds6

About [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate

[(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate (PubChem CID 10760059) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate
PubChem CID10760059
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name[(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate
SMILESCCC/C=C/CO/C(=N\c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H20F3NO/c1-2-3-4-8-15-25-19(16-9-6-5-7-10-16)24-18-13-11-17(12-14-18)20(21,22)23/h4-14H,2-3,15H2,1H3/b8-4+,24-19-
InChIKeyWLZLIINDLVRUBW-FRYCZZRTSA-N
XLogP6.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate?
The IUPAC name of [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate (CID 10760059) is [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate.
What is the SMILES notation for [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate?
The canonical SMILES for [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate is CCC/C=C/CO/C(=N\c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate?
The InChIKey is WLZLIINDLVRUBW-FRYCZZRTSA-N. The full InChI is InChI=1S/C20H20F3NO/c1-2-3-4-8-15-25-19(16-9-6-5-7-10-16)24-18-13-11-17(12-14-18)20(21,22)23/h4-14H,2-3,15H2,1H3/b8-4+,24-19-.
What are the key properties of [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate?
[(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate has a molecular weight of 347.38 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] N-[4-(trifluoromethyl)phenyl]benzenecarboximidate is sourced from PubChem (CID 10760059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).