1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine

C15H19F3N2 — CID 126546676

IUPAC1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine
SMILESC=C(N/N=C(\CCCCC)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H19F3N2/c1-3-4-6-11-14(15(16,17)18)20-19-12(2)13-9-7-5-8-10-13/h5,7-10,19H,2-4,6,11H2,1H3/b20-14+
InChIKeyNLXGWMMZQPZENW-XSFVSMFZSA-N
MW284.33 g/mol
LogP4.75
Rot. Bonds7

About 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine

1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine (PubChem CID 126546676) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine.

Molecular Properties

Compound Name1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine
PubChem CID126546676
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine
SMILESC=C(N/N=C(\CCCCC)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H19F3N2/c1-3-4-6-11-14(15(16,17)18)20-19-12(2)13-9-7-5-8-10-13/h5,7-10,19H,2-4,6,11H2,1H3/b20-14+
InChIKeyNLXGWMMZQPZENW-XSFVSMFZSA-N
XLogP4.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine?
The IUPAC name of 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine (CID 126546676) is 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine.
What is the SMILES notation for 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine?
The canonical SMILES for 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine is C=C(N/N=C(\CCCCC)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine?
The InChIKey is NLXGWMMZQPZENW-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-3-4-6-11-14(15(16,17)18)20-19-12(2)13-9-7-5-8-10-13/h5,7-10,19H,2-4,6,11H2,1H3/b20-14+.
What are the key properties of 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine?
1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine has a molecular weight of 284.33 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(E)-1,1,1-trifluoroheptan-2-ylideneamino]ethenamine is sourced from PubChem (CID 126546676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).