(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine

C15H20F3N — CID 146578951

IUPAC(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine
SMILESC=C/C(=C\C=C(C)\C=N\CC(F)(F)F)C(=C)CCC
InChIInChI=1S/C15H20F3N/c1-5-7-13(4)14(6-2)9-8-12(3)10-19-11-15(16,17)18/h6,8-10H,2,4-5,7,11H2,1,3H3/b12-8+,14-9+,19-10+
InChIKeyWSVVGGHQVIQTBT-YKZOEUOXSA-N
MW271.33 g/mol
LogP5.03
Rot. Bonds7

About (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine

(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine (PubChem CID 146578951) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine
PubChem CID146578951
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine
SMILESC=C/C(=C\C=C(C)\C=N\CC(F)(F)F)C(=C)CCC
InChIInChI=1S/C15H20F3N/c1-5-7-13(4)14(6-2)9-8-12(3)10-19-11-15(16,17)18/h6,8-10H,2,4-5,7,11H2,1,3H3/b12-8+,14-9+,19-10+
InChIKeyWSVVGGHQVIQTBT-YKZOEUOXSA-N
XLogP5.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine (CID 146578951) is (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine is C=C/C(=C\C=C(C)\C=N\CC(F)(F)F)C(=C)CCC.
What is the InChIKey of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine?
The InChIKey is WSVVGGHQVIQTBT-YKZOEUOXSA-N. The full InChI is InChI=1S/C15H20F3N/c1-5-7-13(4)14(6-2)9-8-12(3)10-19-11-15(16,17)18/h6,8-10H,2,4-5,7,11H2,1,3H3/b12-8+,14-9+,19-10+.
What are the key properties of (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine?
(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine has a molecular weight of 271.33 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine is sourced from PubChem (CID 146578951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).