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

C31H41FO — CID 139862289

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

2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene (PubChem CID 139862289) has the molecular formula C31H41FO and a molecular weight of 448.67 g/mol. Its IUPAC name is 2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
• PubChem CID: 139862289
• Molecular Formula: C31H41FO
• Molecular Weight: 448.67 g/mol
• Exact Mass: 448.31
• IUPAC Name: 2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
• SMILES: CC=CCOc1ccc2cc(CCC3CCC(C4CCC(/C=C/C)CC4)CC3)ccc2c1F
• InChI: InChI=1S/C31H41FO/c1-3-5-21-33-30-20-18-28-22-25(13-19-29(28)31(30)32)8-7-24-11-16-27(17-12-24)26-14-9-23(6-4-2)10-15-26/h3-6,13,18-20,22-24,26-27H,7-12,14-17,21H2,1-2H3/b5-3?,6-4+
• InChIKey: ZPFLJVZTUUAJQO-QEKUZXLOSA-N
• XLogP: 9.06
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.67
LogP ≤ 5	9.06
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 2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene?

The IUPAC name of 2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene (CID 139862289) is 2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene.

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

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

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

The InChIKey is ZPFLJVZTUUAJQO-QEKUZXLOSA-N. The full InChI is InChI=1S/C31H41FO/c1-3-5-21-33-30-20-18-28-22-25(13-19-29(28)31(30)32)8-7-24-11-16-27(17-12-24)26-14-9-23(6-4-2)10-15-26/h3-6,13,18-20,22-24,26-27H,7-12,14-17,21H2,1-2H3/b5-3?,6-4+.

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

2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene has a molecular weight of 448.67 g/mol, XLogP of 9.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139862289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).