N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine

C10H14FN — CID 130413111

IUPACN-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
SMILESC=N/C=C(F)\C=C(\C=C/C)CC
InChIInChI=1S/C10H14FN/c1-4-6-9(5-2)7-10(11)8-12-3/h4,6-8H,3,5H2,1-2H3/b6-4-,9-7+,10-8+
InChIKeyFUPNIACUMYNOGZ-DILYWIELSA-N
MW167.23 g/mol
LogP3.41
Rot. Bonds4

About N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine

N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine (PubChem CID 130413111) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
PubChem CID130413111
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
SMILESC=N/C=C(F)\C=C(\C=C/C)CC
InChIInChI=1S/C10H14FN/c1-4-6-9(5-2)7-10(11)8-12-3/h4,6-8H,3,5H2,1-2H3/b6-4-,9-7+,10-8+
InChIKeyFUPNIACUMYNOGZ-DILYWIELSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.41
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-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine?
The IUPAC name of N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine (CID 130413111) is N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine.
What is the SMILES notation for N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine?
The canonical SMILES for N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine is C=N/C=C(F)\C=C(\C=C/C)CC.
What is the InChIKey of N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine?
The InChIKey is FUPNIACUMYNOGZ-DILYWIELSA-N. The full InChI is InChI=1S/C10H14FN/c1-4-6-9(5-2)7-10(11)8-12-3/h4,6-8H,3,5H2,1-2H3/b6-4-,9-7+,10-8+.
What are the key properties of N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine?
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine has a molecular weight of 167.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine is sourced from PubChem (CID 130413111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).