N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine

C8H10F3N — CID 143084952

IUPACN-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
SMILESC=C(/C(C)=C\N=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-12-5-6(2)7(3)8(9,10)11/h4-5H,3H2,1-2H3/b6-5-,12-4+
InChIKeyWBXFMHYLIZRDGQ-JWUPWDRQSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

About N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine

N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine (PubChem CID 143084952) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
PubChem CID143084952
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
SMILESC=C(/C(C)=C\N=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-12-5-6(2)7(3)8(9,10)11/h4-5H,3H2,1-2H3/b6-5-,12-4+
InChIKeyWBXFMHYLIZRDGQ-JWUPWDRQSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
CID 123607072
N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
CID 123912308
N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine
CID 137409517
N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
CID 137409528
4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine
CID 142360122
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine;ethane
CID 142399738
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
CID 144826258
2-methylidene-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-3-en-1-imine
CID 166998242
N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 169929591

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine (CID 143084952) is N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine is C=C(/C(C)=C\N=C\C)C(F)(F)F.
What is the InChIKey of N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
The InChIKey is WBXFMHYLIZRDGQ-JWUPWDRQSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-12-5-6(2)7(3)8(9,10)11/h4-5H,3H2,1-2H3/b6-5-,12-4+.
What are the key properties of N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine?
N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine 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 N-[(1Z)-2-methyl-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine is sourced from PubChem (CID 143084952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).