(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine

C12H20F3N — CID 123240234

IUPAC(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
SMILESCCC(/C=C(\C)C(C)(C)C)=N\CC(F)(F)F
InChIInChI=1S/C12H20F3N/c1-6-10(16-8-12(13,14)15)7-9(2)11(3,4)5/h7H,6,8H2,1-5H3/b9-7+,16-10+
InChIKeyUCARQPDFROVXNW-QCPPYIPPSA-N
MW235.29 g/mol
LogP4.39
Rot. Bonds3

About (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine

(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine (PubChem CID 123240234) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine.

Molecular Properties

Compound Name(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
PubChem CID123240234
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
SMILESCCC(/C=C(\C)C(C)(C)C)=N\CC(F)(F)F
InChIInChI=1S/C12H20F3N/c1-6-10(16-8-12(13,14)15)7-9(2)11(3,4)5/h7H,6,8H2,1-5H3/b9-7+,16-10+
InChIKeyUCARQPDFROVXNW-QCPPYIPPSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
CID 70518262
(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
CID 88877671
(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
CID 89153658
3-Ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 90820070
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(4E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hepta-1,4-dien-3-imine
CID 123788699
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole
CID 134299333
(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine
CID 134466286
(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
CID 134466390
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578

Frequently Asked Questions

What is the IUPAC name of (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine?
The IUPAC name of (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine (CID 123240234) is (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine.
What is the SMILES notation for (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine?
The canonical SMILES for (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine is CCC(/C=C(\C)C(C)(C)C)=N\CC(F)(F)F.
What is the InChIKey of (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine?
The InChIKey is UCARQPDFROVXNW-QCPPYIPPSA-N. The full InChI is InChI=1S/C12H20F3N/c1-6-10(16-8-12(13,14)15)7-9(2)11(3,4)5/h7H,6,8H2,1-5H3/b9-7+,16-10+.
What are the key properties of (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine?
(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine has a molecular weight of 235.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine is sourced from PubChem (CID 123240234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).