N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine

C12H16F3N — CID 156843885

IUPACN-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine
SMILESC=NCC(/C=C\C)=C/C(=C/CC)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-4-6-10(9-16-3)8-11(7-5-2)12(13,14)15/h4,6-8H,3,5,9H2,1-2H3/b6-4-,10-8+,11-7-
InChIKeyBYGHYNRUKKILCG-ZYIGCRMGSA-N
MW231.26 g/mol
LogP4.09
Rot. Bonds5

About N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine

N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine (PubChem CID 156843885) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine
PubChem CID156843885
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine
SMILESC=NCC(/C=C\C)=C/C(=C/CC)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-4-6-10(9-16-3)8-11(7-5-2)12(13,14)15/h4,6-8H,3,5,9H2,1-2H3/b6-4-,10-8+,11-7-
InChIKeyBYGHYNRUKKILCG-ZYIGCRMGSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine?
The IUPAC name of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine (CID 156843885) is N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine.
What is the SMILES notation for N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine?
The canonical SMILES for N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine is C=NCC(/C=C\C)=C/C(=C/CC)C(F)(F)F.
What is the InChIKey of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine?
The InChIKey is BYGHYNRUKKILCG-ZYIGCRMGSA-N. The full InChI is InChI=1S/C12H16F3N/c1-4-6-10(9-16-3)8-11(7-5-2)12(13,14)15/h4,6-8H,3,5,9H2,1-2H3/b6-4-,10-8+,11-7-.
What are the key properties of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine?
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine has a molecular weight of 231.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)hepta-2,4-dienyl]methanimine is sourced from PubChem (CID 156843885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).