1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene

C28H27F — CID 139875921

About 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene

1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene (PubChem CID 139875921) has the molecular formula C28H27F and a molecular weight of 382.52 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene.

Molecular Properties

• Compound Name: 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
• PubChem CID: 139875921
• Molecular Formula: C28H27F
• Molecular Weight: 382.52 g/mol
• Exact Mass: 382.21
• IUPAC Name: 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
• SMILES: C/C=C/CCc1ccc(C#Cc2ccc3c(F)c(CC/C=C/C)ccc3c2)cc1
• InChI: InChI=1S/C28H27F/c1-3-5-7-9-22-11-13-23(14-12-22)15-16-24-17-20-27-26(21-24)19-18-25(28(27)29)10-8-6-4-2/h3-6,11-14,17-21H,7-10H2,1-2H3/b5-3+,6-4+
• InChIKey: GATFZMSXJCHXAA-GGWOSOGESA-N
• XLogP: 7.40
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.52
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene?

The IUPAC name of 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene (CID 139875921) is 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene.

What is the SMILES notation for 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene?

The canonical SMILES for 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene is C/C=C/CCc1ccc(C#Cc2ccc3c(F)c(CC/C=C/C)ccc3c2)cc1.

What is the InChIKey of 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene?

The InChIKey is GATFZMSXJCHXAA-GGWOSOGESA-N. The full InChI is InChI=1S/C28H27F/c1-3-5-7-9-22-11-13-23(14-12-22)15-16-24-17-20-27-26(21-24)19-18-25(28(27)29)10-8-6-4-2/h3-6,11-14,17-21H,7-10H2,1-2H3/b5-3+,6-4+.

What are the key properties of 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene?

1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene has a molecular weight of 382.52 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene is sourced from PubChem (CID 139875921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).