N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine

C11H18FN — CID 143003949

IUPACN-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
SMILESCCCC/C=N/C=C/C/C=C\CF
InChIInChI=1S/C11H18FN/c1-2-3-7-10-13-11-8-5-4-6-9-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3/b6-4-,11-8+,13-10+
InChIKeyJCEZHVBEDMZDNW-GKLADDGWSA-N
MW183.27 g/mol
LogP3.68
Rot. Bonds7

About N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine

N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine (PubChem CID 143003949) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine.

Molecular Properties

Compound NameN-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
PubChem CID143003949
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
SMILESCCCC/C=N/C=C/C/C=C\CF
InChIInChI=1S/C11H18FN/c1-2-3-7-10-13-11-8-5-4-6-9-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3/b6-4-,11-8+,13-10+
InChIKeyJCEZHVBEDMZDNW-GKLADDGWSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine?
The IUPAC name of N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine (CID 143003949) is N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine.
What is the SMILES notation for N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine?
The canonical SMILES for N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine is CCCC/C=N/C=C/C/C=C\CF.
What is the InChIKey of N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine?
The InChIKey is JCEZHVBEDMZDNW-GKLADDGWSA-N. The full InChI is InChI=1S/C11H18FN/c1-2-3-7-10-13-11-8-5-4-6-9-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3/b6-4-,11-8+,13-10+.
What are the key properties of N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine?
N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine has a molecular weight of 183.27 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine is sourced from PubChem (CID 143003949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).