(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine

C8H10F3N — CID 142438463

IUPAC(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine
SMILESC/C=C/C=C\C(=N\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-5-6-7(12-2)8(9,10)11/h3-6H,1-2H3/b4-3+,6-5-,12-7-
InChIKeyYBDUUOZCGVOCDO-SVGSFYBISA-N
MW177.17 g/mol
LogP2.75
Rot. Bonds2

About (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine

(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine (PubChem CID 142438463) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine
PubChem CID142438463
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine
SMILESC/C=C/C=C\C(=N\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-5-6-7(12-2)8(9,10)11/h3-6H,1-2H3/b4-3+,6-5-,12-7-
InChIKeyYBDUUOZCGVOCDO-SVGSFYBISA-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'}

Analyze (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine (CID 142438463) is (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine is C/C=C/C=C\C(=N\C)C(F)(F)F.
What is the InChIKey of (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine?
The InChIKey is YBDUUOZCGVOCDO-SVGSFYBISA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-4-5-6-7(12-2)8(9,10)11/h3-6H,1-2H3/b4-3+,6-5-,12-7-.
What are the key properties of (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine?
(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-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 (3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 142438463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).