4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane

C15H26FN — CID 134365685

IUPAC4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane
SMILESCC/C=C(F)\C=C/C(C)C1CCCN(C)CC1
InChIInChI=1S/C15H26FN/c1-4-6-15(16)9-8-13(2)14-7-5-11-17(3)12-10-14/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3/b9-8-,15-6+
InChIKeyUEJNCBPRSOSOGA-GMLODJKISA-N
MW239.38 g/mol
LogP4.17
Rot. Bonds4

About 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane

4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane (PubChem CID 134365685) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane.

Molecular Properties

Compound Name4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane
PubChem CID134365685
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane
SMILESCC/C=C(F)\C=C/C(C)C1CCCN(C)CC1
InChIInChI=1S/C15H26FN/c1-4-6-15(16)9-8-13(2)14-7-5-11-17(3)12-10-14/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3/b9-8-,15-6+
InChIKeyUEJNCBPRSOSOGA-GMLODJKISA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
The IUPAC name of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane (CID 134365685) is 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane.
What is the SMILES notation for 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
The canonical SMILES for 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane is CC/C=C(F)\C=C/C(C)C1CCCN(C)CC1.
What is the InChIKey of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
The InChIKey is UEJNCBPRSOSOGA-GMLODJKISA-N. The full InChI is InChI=1S/C15H26FN/c1-4-6-15(16)9-8-13(2)14-7-5-11-17(3)12-10-14/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3/b9-8-,15-6+.
What are the key properties of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane has a molecular weight of 239.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane is sourced from PubChem (CID 134365685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).