(2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine

C8H10F3N — CID 162588287

IUPAC(2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C(C)/C=C(\C=N\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h4-5H,1H2,2-3H3/b7-4+,12-5+
InChIKeyZTGNEDMJFNJDFS-WICBUYNWSA-N
MW177.17 g/mol
LogP2.75
Rot. Bonds2

About (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine

(2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine (PubChem CID 162588287) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
PubChem CID162588287
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C(C)/C=C(\C=N\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h4-5H,1H2,2-3H3/b7-4+,12-5+
InChIKeyZTGNEDMJFNJDFS-WICBUYNWSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.75
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 (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine (CID 162588287) is (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine is C=C(C)/C=C(\C=N\C)C(F)(F)F.
What is the InChIKey of (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The InChIKey is ZTGNEDMJFNJDFS-WICBUYNWSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h4-5H,1H2,2-3H3/b7-4+,12-5+.
What are the key properties of (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
(2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine has a molecular weight of 177.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 162588287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).