N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine

C15H24F3N — CID 121405090

IUPACN-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
SMILESC=C/C(=C\N=C(/CCCC)C(F)(F)F)CCCCC
InChIInChI=1S/C15H24F3N/c1-4-7-9-10-13(6-3)12-19-14(11-8-5-2)15(16,17)18/h6,12H,3-5,7-11H2,1-2H3/b13-12+,19-14+
InChIKeyMDRPFZZRRWAGDY-OGMPJXADSA-N
MW275.36 g/mol
LogP5.83
Rot. Bonds9

About N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine

N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine (PubChem CID 121405090) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine.

Molecular Properties

Compound NameN-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
PubChem CID121405090
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
SMILESC=C/C(=C\N=C(/CCCC)C(F)(F)F)CCCCC
InChIInChI=1S/C15H24F3N/c1-4-7-9-10-13(6-3)12-19-14(11-8-5-2)15(16,17)18/h6,12H,3-5,7-11H2,1-2H3/b13-12+,19-14+
InChIKeyMDRPFZZRRWAGDY-OGMPJXADSA-N
XLogP5.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E,3S)-2-ethenyl-3-ethylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
CID 121405211
5-(1-Fluorobut-3-enyl)-2-methyl-3,4-dihydropyridine
CID 123876492
Ethane;6-ethyl-2-(2,2,2-trifluoroethyl)-1-azacyclohepta-1,3,4,6-tetraene
CID 143345032
ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
CID 144801050
ethane;1,1,1-trifluoro-N-[(1Z)-2-methylbuta-1,3-dienyl]propan-2-imine
CID 155731310
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine
CID 166907556
N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 169929591
N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropropan-2-imine
CID 169938390
ethane;N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 172242050
1,1,1-trifluoro-3-methyl-N-[(Z)-3-methylidenepent-1-enyl]pentan-2-imine
CID 174202549
(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
CID 174319468

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine?
The IUPAC name of N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine (CID 121405090) is N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine.
What is the SMILES notation for N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine?
The canonical SMILES for N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine is C=C/C(=C\N=C(/CCCC)C(F)(F)F)CCCCC.
What is the InChIKey of N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine?
The InChIKey is MDRPFZZRRWAGDY-OGMPJXADSA-N. The full InChI is InChI=1S/C15H24F3N/c1-4-7-9-10-13(6-3)12-19-14(11-8-5-2)15(16,17)18/h6,12H,3-5,7-11H2,1-2H3/b13-12+,19-14+.
What are the key properties of N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine?
N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine has a molecular weight of 275.36 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine is sourced from PubChem (CID 121405090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).