N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine

C18H28F3N — CID 153346196

IUPACN-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
SMILESCCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(\C)CCCC
InChIInChI=1S/C18H28F3N/c1-6-8-10-14(3)17(22-16(5)11-9-7-2)13-12-15(4)18(19,20)21/h10,12-13H,6-9,11H2,1-5H3/b14-10+,15-12+,17-13+,22-16+
InChIKeyKWESUPSSQODEMJ-FZUIMXHBSA-N
MW315.42 g/mol
LogP6.78
Rot. Bonds8

About N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine

N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine (PubChem CID 153346196) has the molecular formula C18H28F3N and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine.

Molecular Properties

Compound NameN-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
PubChem CID153346196
Molecular FormulaC18H28F3N
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC NameN-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
SMILESCCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(\C)CCCC
InChIInChI=1S/C18H28F3N/c1-6-8-10-14(3)17(22-16(5)11-9-7-2)13-12-15(4)18(19,20)21/h10,12-13H,6-9,11H2,1-5H3/b14-10+,15-12+,17-13+,22-16+
InChIKeyKWESUPSSQODEMJ-FZUIMXHBSA-N
XLogP6.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.78
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-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The IUPAC name of N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine (CID 153346196) is N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine.
What is the SMILES notation for N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The canonical SMILES for N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine is CCC/C=C(C)/C(=C\C=C(/C)C(F)(F)F)/N=C(\C)CCCC.
What is the InChIKey of N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The InChIKey is KWESUPSSQODEMJ-FZUIMXHBSA-N. The full InChI is InChI=1S/C18H28F3N/c1-6-8-10-14(3)17(22-16(5)11-9-7-2)13-12-15(4)18(19,20)21/h10,12-13H,6-9,11H2,1-5H3/b14-10+,15-12+,17-13+,22-16+.
What are the key properties of N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine has a molecular weight of 315.42 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine is sourced from PubChem (CID 153346196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).