N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine

C7H8F3N — CID 139452162

IUPACN-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
SMILESC/C=C\C(=C/N=C)\C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-6(5-11-2)7(8,9)10/h3-5H,2H2,1H3/b4-3-,6-5+
InChIKeyPDCYSPVFNBYEAU-DNVGVPOPSA-N
MW163.14 g/mol
LogP4.00
Rot. Bonds2

About N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine (PubChem CID 139452162) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
PubChem CID139452162
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC NameN-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
SMILESC/C=C\C(=C/N=C)\C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-6(5-11-2)7(8,9)10/h3-5H,2H2,1H3/b4-3-,6-5+
InChIKeyPDCYSPVFNBYEAU-DNVGVPOPSA-N
XLogP4.00
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
CID 88579421
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 137443888
N-[(1E,3E)-2-(difluoromethyl)-3-fluoro-5-methylhexa-1,3-dienyl]methanimine
CID 137532776
N-[(1E,3E)-2,3-difluorohexa-1,3-dienyl]methanimine
CID 137532784

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine (CID 139452162) is N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine is C/C=C\C(=C/N=C)\C(F)(F)F.
What is the InChIKey of N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The InChIKey is PDCYSPVFNBYEAU-DNVGVPOPSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-4-6(5-11-2)7(8,9)10/h3-5H,2H2,1H3/b4-3-,6-5+.
What are the key properties of N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine has a molecular weight of 163.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 139452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).