[(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate

C13H18FNO — CID 134448724

IUPAC[(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate
SMILESC=C/N=C(/C=C(C)C)OC/C=C\C=C/CF
InChIInChI=1S/C13H18FNO/c1-4-15-13(11-12(2)3)16-10-8-6-5-7-9-14/h4-8,11H,1,9-10H2,2-3H3/b7-5-,8-6-,15-13-
InChIKeyOLRZPNGFKAMYRD-NJSNNQCSSA-N
MW223.29 g/mol
LogP3.59
Rot. Bonds6

About [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate

[(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate (PubChem CID 134448724) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate.

Molecular Properties

Compound Name[(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate
PubChem CID134448724
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate
SMILESC=C/N=C(/C=C(C)C)OC/C=C\C=C/CF
InChIInChI=1S/C13H18FNO/c1-4-15-13(11-12(2)3)16-10-8-6-5-7-9-14/h4-8,11H,1,9-10H2,2-3H3/b7-5-,8-6-,15-13-
InChIKeyOLRZPNGFKAMYRD-NJSNNQCSSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate?
The IUPAC name of [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate (CID 134448724) is [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate.
What is the SMILES notation for [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate?
The canonical SMILES for [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate is C=C/N=C(/C=C(C)C)OC/C=C\C=C/CF.
What is the InChIKey of [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate?
The InChIKey is OLRZPNGFKAMYRD-NJSNNQCSSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-15-13(11-12(2)3)16-10-8-6-5-7-9-14/h4-8,11H,1,9-10H2,2-3H3/b7-5-,8-6-,15-13-.
What are the key properties of [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate?
[(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate has a molecular weight of 223.29 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-6-fluorohexa-2,4-dienyl] N-ethenyl-3-methylbut-2-enimidate is sourced from PubChem (CID 134448724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).