N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine

C15H18F3N — CID 138715311

IUPACN-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
SMILESC=CC(=C/C=C\CC(F)(F)F)C(=C/C=C\C)/N=C/C
InChIInChI=1S/C15H18F3N/c1-4-7-11-14(19-6-3)13(5-2)10-8-9-12-15(16,17)18/h4-11H,2,12H2,1,3H3/b7-4-,9-8-,13-10+,14-11-,19-6+
InChIKeyMPFDAHRNPPXSCZ-BCKVCJLTSA-N
MW269.31 g/mol
LogP5.16
Rot. Bonds6

About N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine

N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine (PubChem CID 138715311) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
PubChem CID138715311
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
SMILESC=CC(=C/C=C\CC(F)(F)F)C(=C/C=C\C)/N=C/C
InChIInChI=1S/C15H18F3N/c1-4-7-11-14(19-6-3)13(5-2)10-8-9-12-15(16,17)18/h4-11H,2,12H2,1,3H3/b7-4-,9-8-,13-10+,14-11-,19-6+
InChIKeyMPFDAHRNPPXSCZ-BCKVCJLTSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.31
LogP ≤ 55.16
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 N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine?
The IUPAC name of N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine (CID 138715311) is N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine?
The canonical SMILES for N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine is C=CC(=C/C=C\CC(F)(F)F)C(=C/C=C\C)/N=C/C.
What is the InChIKey of N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine?
The InChIKey is MPFDAHRNPPXSCZ-BCKVCJLTSA-N. The full InChI is InChI=1S/C15H18F3N/c1-4-7-11-14(19-6-3)13(5-2)10-8-9-12-15(16,17)18/h4-11H,2,12H2,1,3H3/b7-4-,9-8-,13-10+,14-11-,19-6+.
What are the key properties of N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine?
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine has a molecular weight of 269.31 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine is sourced from PubChem (CID 138715311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).