1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene

C32H43FO — CID 139861475

About 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene

1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene (PubChem CID 139861475) has the molecular formula C32H43FO and a molecular weight of 462.69 g/mol. Its IUPAC name is 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene.

Molecular Properties

• Compound Name: 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
• PubChem CID: 139861475
• Molecular Formula: C32H43FO
• Molecular Weight: 462.69 g/mol
• Exact Mass: 462.33
• IUPAC Name: 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
• SMILES: C=CCOc1ccc2c(F)c(C3CCC(CCC4CCC(/C=C/CCC)CC4)CC3)ccc2c1
• InChI: InChI=1S/C32H43FO/c1-3-5-6-7-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)30-20-18-28-23-29(34-22-4-2)19-21-31(28)32(30)33/h4,6-7,18-21,23-27H,2-3,5,8-17,22H2,1H3/b7-6+
• InChIKey: AIDHLVKQLPWGEN-VOTSOKGWSA-N
• XLogP: 9.76
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.69
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?

The IUPAC name of 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene (CID 139861475) is 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene.

What is the SMILES notation for 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?

The canonical SMILES for 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene is C=CCOc1ccc2c(F)c(C3CCC(CCC4CCC(/C=C/CCC)CC4)CC3)ccc2c1.

What is the InChIKey of 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?

The InChIKey is AIDHLVKQLPWGEN-VOTSOKGWSA-N. The full InChI is InChI=1S/C32H43FO/c1-3-5-6-7-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)30-20-18-28-23-29(34-22-4-2)19-21-31(28)32(30)33/h4,6-7,18-21,23-27H,2-3,5,8-17,22H2,1H3/b7-6+.

What are the key properties of 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?

1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene has a molecular weight of 462.69 g/mol, XLogP of 9.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139861475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).