(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine

C8H10F3N — CID 89214268

IUPAC(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
SMILESC/C=C(C)\N=C\C=C\C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(2)12-6-4-5-8(9,10)11/h3-6H,1-2H3/b5-4+,7-3-,12-6+
InChIKeySLAAYGIGVODYCD-WSJROKDQSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

About (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine

(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine (PubChem CID 89214268) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
PubChem CID89214268
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
SMILESC/C=C(C)\N=C\C=C\C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(2)12-6-4-5-8(9,10)11/h3-6H,1-2H3/b5-4+,7-3-,12-6+
InChIKeySLAAYGIGVODYCD-WSJROKDQSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4,4,4-trifluorobut-2-en-1-imine
CID 57132997
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
CID 89073543
N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine
CID 90941994
N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
CID 91012479
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
CID 118311796
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-1-imine
CID 123355000
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
N-[(E)-3-fluorobut-2-en-2-yl]prop-2-en-1-imine
CID 141985990
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
CID 142285293

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine?
The IUPAC name of (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine (CID 89214268) is (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine is C/C=C(C)\N=C\C=C\C(F)(F)F.
What is the InChIKey of (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine?
The InChIKey is SLAAYGIGVODYCD-WSJROKDQSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-7(2)12-6-4-5-8(9,10)11/h3-6H,1-2H3/b5-4+,7-3-,12-6+.
What are the key properties of (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine?
(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine has a molecular weight of 177.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine is sourced from PubChem (CID 89214268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).