(E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine

C9H12F3N — CID 155373908

IUPAC(E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine
SMILESC/C=C(/C=N/C)\C=C(/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-8(6-13-3)5-7(2)9(10,11)12/h4-6H,1-3H3/b7-5+,8-4+,13-6+
InChIKeyVQAJDCWJSORBLA-ICQPSXERSA-N
MW191.20 g/mol
LogP3.14
Rot. Bonds2

About (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine

(E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine (PubChem CID 155373908) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine.

Molecular Properties

Compound Name(E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine
PubChem CID155373908
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine
SMILESC/C=C(/C=N/C)\C=C(/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-8(6-13-3)5-7(2)9(10,11)12/h4-6H,1-3H3/b7-5+,8-4+,13-6+
InChIKeyVQAJDCWJSORBLA-ICQPSXERSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.14
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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Related Compounds

3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
5-(Trifluoromethyl)-2,3-dihydropyridine
CID 68374416
(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 89528015
(2Z,4E)-6,6,6-trifluoro-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89697918
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
(2E)-5-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 122494579
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
2-[[(E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enylidene]amino]ethanethial
CID 123528785

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine?
The IUPAC name of (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine (CID 155373908) is (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine.
What is the SMILES notation for (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine?
The canonical SMILES for (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine is C/C=C(/C=N/C)\C=C(/C)C(F)(F)F.
What is the InChIKey of (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine?
The InChIKey is VQAJDCWJSORBLA-ICQPSXERSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-8(6-13-3)5-7(2)9(10,11)12/h4-6H,1-3H3/b7-5+,8-4+,13-6+.
What are the key properties of (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine?
(E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine is sourced from PubChem (CID 155373908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).