(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine

C12H20F3N — CID 166470434

IUPAC(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
SMILESC/C=C\C(CC(C(C)C)C(F)(F)F)=N/CC
InChIInChI=1S/C12H20F3N/c1-5-7-10(16-6-2)8-11(9(3)4)12(13,14)15/h5,7,9,11H,6,8H2,1-4H3/b7-5-,16-10+
InChIKeyOSSKMHDKWSNGDI-NUNJDRMESA-N
MW235.29 g/mol
LogP4.25
Rot. Bonds5

About (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine

(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine (PubChem CID 166470434) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
PubChem CID166470434
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
SMILESC/C=C\C(CC(C(C)C)C(F)(F)F)=N/CC
InChIInChI=1S/C12H20F3N/c1-5-7-10(16-6-2)8-11(9(3)4)12(13,14)15/h5,7,9,11H,6,8H2,1-4H3/b7-5-,16-10+
InChIKeyOSSKMHDKWSNGDI-NUNJDRMESA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.25
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

5,6-Dimethyl-5-propyl-7-(trifluoromethyl)-2,6-dihydroazepine
CID 70309949
3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
CID 70518262
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
3-ethyl-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 123328657
3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine
CID 123544900
6-(2-Methylbutan-2-yl)-3-(trifluoromethyl)-2,3-dihydropyridine
CID 148840340
(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
CID 166907528
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
6-[(2S)-butan-2-yl]-3-fluoro-2,3-dihydropyridine
CID 144060408
4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine
CID 144526431

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine?
The IUPAC name of (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine (CID 166470434) is (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine.
What is the SMILES notation for (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine?
The canonical SMILES for (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine is C/C=C\C(CC(C(C)C)C(F)(F)F)=N/CC.
What is the InChIKey of (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine?
The InChIKey is OSSKMHDKWSNGDI-NUNJDRMESA-N. The full InChI is InChI=1S/C12H20F3N/c1-5-7-10(16-6-2)8-11(9(3)4)12(13,14)15/h5,7,9,11H,6,8H2,1-4H3/b7-5-,16-10+.
What are the key properties of (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine?
(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine has a molecular weight of 235.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine is sourced from PubChem (CID 166470434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).