(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine

C15H18F3N — CID 142147282

IUPAC(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine
SMILESC=C/C(=C\C=C/C)C(=C)/N=C(C)/C=C(\C)C(F)(F)F
InChIInChI=1S/C15H18F3N/c1-6-8-9-14(7-2)13(5)19-12(4)10-11(3)15(16,17)18/h6-10H,2,5H2,1,3-4H3/b8-6-,11-10+,14-9+,19-12+
InChIKeyOTHRFPWWMNIAQD-HEHVUALBSA-N
MW269.31 g/mol
LogP5.16
Rot. Bonds5

About (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine

(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine (PubChem CID 142147282) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine
PubChem CID142147282
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine
SMILESC=C/C(=C\C=C/C)C(=C)/N=C(C)/C=C(\C)C(F)(F)F
InChIInChI=1S/C15H18F3N/c1-6-8-9-14(7-2)13(5)19-12(4)10-11(3)15(16,17)18/h6-10H,2,5H2,1,3-4H3/b8-6-,11-10+,14-9+,19-12+
InChIKeyOTHRFPWWMNIAQD-HEHVUALBSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-Dimethyl-2-trifluoromethyl-4H-azepine
CID 14610094
3,7-dimethyl-2-(trifluoromethyl)-4H-azepine
CID 134915987
(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(6E)-2-(difluoromethyl)-6-ethylidene-3,4-dimethyl-5-methylidenepyridine
CID 117618725
(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
CID 123203347
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
The IUPAC name of (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine (CID 142147282) is (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
The canonical SMILES for (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine is C=C/C(=C\C=C/C)C(=C)/N=C(C)/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
The InChIKey is OTHRFPWWMNIAQD-HEHVUALBSA-N. The full InChI is InChI=1S/C15H18F3N/c1-6-8-9-14(7-2)13(5)19-12(4)10-11(3)15(16,17)18/h6-10H,2,5H2,1,3-4H3/b8-6-,11-10+,14-9+,19-12+.
What are the key properties of (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine has a molecular weight of 269.31 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine is sourced from PubChem (CID 142147282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).