N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine

C7H8F3N — CID 142182118

IUPACN-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
SMILESC=C(/C=C\N=C\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-11-5-4-6(2)7(8,9)10/h3-5H,2H2,1H3/b5-4-,11-3+
InChIKeyIUEDJPMZUXQDOJ-NEPXUXLISA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine

N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine (PubChem CID 142182118) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
PubChem CID142182118
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC NameN-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
SMILESC=C(/C=C\N=C\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-11-5-4-6(2)7(8,9)10/h3-5H,2H2,1H3/b5-4-,11-3+
InChIKeyIUEDJPMZUXQDOJ-NEPXUXLISA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
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

N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidoyl fluoride
CID 88061450
N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
CID 118668915
2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
CID 123607072
N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
CID 123912308
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
(E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine
CID 143327927
N-[(1Z)-buta-1,3-dienyl]ethanimine;ethane;1,1,1-trifluoropropane
CID 143345137
N-[(E)-3,3-difluorobut-1-enyl]prop-2-en-1-imine
CID 144130311
N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]methanimine
CID 144246126
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
CID 144826258
(Z)-N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]ethanimine
CID 153554227

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine (CID 142182118) is N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine is C=C(/C=C\N=C\C)C(F)(F)F.
What is the InChIKey of N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
The InChIKey is IUEDJPMZUXQDOJ-NEPXUXLISA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-11-5-4-6(2)7(8,9)10/h3-5H,2H2,1H3/b5-4-,11-3+.
What are the key properties of N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142182118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).