1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene

C30H39FO — CID 139860513

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

1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene (PubChem CID 139860513) has the molecular formula C30H39FO and a molecular weight of 434.64 g/mol. Its IUPAC name is 1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
• PubChem CID: 139860513
• Molecular Formula: C30H39FO
• Molecular Weight: 434.64 g/mol
• Exact Mass: 434.30
• IUPAC Name: 1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
• SMILES: C=CCOc1ccc2cc(CCC3CCC(C4CCC(/C=C/C)CC4)CC3)ccc2c1F
• InChI: InChI=1S/C30H39FO/c1-3-5-22-8-13-25(14-9-22)26-15-10-23(11-16-26)6-7-24-12-18-28-27(21-24)17-19-29(30(28)31)32-20-4-2/h3-5,12,17-19,21-23,25-26H,2,6-11,13-16,20H2,1H3/b5-3+
• InChIKey: CLYQSRWCSQZWLV-HWKANZROSA-N
• XLogP: 8.67
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.64
LogP ≤ 5	8.67
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-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene?

The IUPAC name of 1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene (CID 139860513) is 1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene.

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

The canonical SMILES for 1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene is C=CCOc1ccc2cc(CCC3CCC(C4CCC(/C=C/C)CC4)CC3)ccc2c1F.

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

The InChIKey is CLYQSRWCSQZWLV-HWKANZROSA-N. The full InChI is InChI=1S/C30H39FO/c1-3-5-22-8-13-25(14-9-22)26-15-10-23(11-16-26)6-7-24-12-18-28-27(21-24)17-19-29(30(28)31)32-20-4-2/h3-5,12,17-19,21-23,25-26H,2,6-11,13-16,20H2,1H3/b5-3+.

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

1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene has a molecular weight of 434.64 g/mol, XLogP of 8.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139860513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).