8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine

C19H26F5N — CID 91463138

IUPAC8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
SMILES[H]/N=C(\C=C(C=C)CCCC(C)CC)C(C)=C(F)C(=C(C)F)C(F)(F)F
InChIInChI=1S/C19H26F5N/c1-6-12(3)9-8-10-15(7-2)11-16(25)13(4)18(21)17(14(5)20)19(22,23)24/h7,11-12,25H,2,6,8-10H2,1,3-5H3/b15-11?,17-14?,18-13?,25-16+
InChIKeyYWNJHLFCYRLZLP-FEXLARDISA-N
MW363.41 g/mol
LogP7.38
Rot. Bonds9

About 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine

8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine (PubChem CID 91463138) has the molecular formula C19H26F5N and a molecular weight of 363.41 g/mol. Its IUPAC name is 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine.

Molecular Properties

Compound Name8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
PubChem CID91463138
Molecular FormulaC19H26F5N
Molecular Weight363.41 g/mol
Exact Mass363.20
IUPAC Name8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
SMILES[H]/N=C(\C=C(C=C)CCCC(C)CC)C(C)=C(F)C(=C(C)F)C(F)(F)F
InChIInChI=1S/C19H26F5N/c1-6-12(3)9-8-10-15(7-2)11-16(25)13(4)18(21)17(14(5)20)19(22,23)24/h7,11-12,25H,2,6,8-10H2,1,3-5H3/b15-11?,17-14?,18-13?,25-16+
InChIKeyYWNJHLFCYRLZLP-FEXLARDISA-N
XLogP7.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 57.38
H-Bond Donors ≤ 51
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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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine
CID 123420437
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(2E)-1-cyclopentyl-2-[(6R)-5-(4,4-difluorocycloheptyl)-2,3,6-trimethylcyclohexa-2,4-dien-1-ylidene]ethanimine
CID 129066310
1-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]ethanimine
CID 135190461
1-(3,3-Difluoro-2,4-dimethyl-5-methylidenecyclopenten-1-yl)-2,2,2-trifluoroethanimine
CID 139425215
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
CID 143346611
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(4Z)-11,11-difluoro-2,12-dimethyltrideca-4,12-dien-3-imine
CID 156235984
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
CID 163505329
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
CID 166662523

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine?
The IUPAC name of 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine (CID 91463138) is 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine.
What is the SMILES notation for 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine?
The canonical SMILES for 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine is [H]/N=C(\C=C(C=C)CCCC(C)CC)C(C)=C(F)C(=C(C)F)C(F)(F)F.
What is the InChIKey of 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine?
The InChIKey is YWNJHLFCYRLZLP-FEXLARDISA-N. The full InChI is InChI=1S/C19H26F5N/c1-6-12(3)9-8-10-15(7-2)11-16(25)13(4)18(21)17(14(5)20)19(22,23)24/h7,11-12,25H,2,6,8-10H2,1,3-5H3/b15-11?,17-14?,18-13?,25-16+.
What are the key properties of 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine?
8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine has a molecular weight of 363.41 g/mol, XLogP of 7.38, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine is sourced from PubChem (CID 91463138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).