1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene

C24H25F3O — CID 143875063

About 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene

1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene (PubChem CID 143875063) has the molecular formula C24H25F3O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene.

Molecular Properties

• Compound Name: 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene
• PubChem CID: 143875063
• Molecular Formula: C24H25F3O
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.19
• IUPAC Name: 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene
• SMILES: C=Cc1ccc(CCC(=C)/C=C\C(=C)C(=C)/C(F)=C/C(=C)OCC)c(F)c1F
• InChI: InChI=1S/C24H25F3O/c1-7-20-13-14-21(24(27)23(20)26)12-10-16(3)9-11-17(4)19(6)22(25)15-18(5)28-8-2/h7,9,11,13-15H,1,3-6,8,10,12H2,2H3/b11-9-,22-15+
• InChIKey: HROBXYHYKOTCQT-NIKSBTOOSA-N
• XLogP: 7.17
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene?

The IUPAC name of 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene (CID 143875063) is 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene.

What is the SMILES notation for 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene?

The canonical SMILES for 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene is C=Cc1ccc(CCC(=C)/C=C\C(=C)C(=C)/C(F)=C/C(=C)OCC)c(F)c1F.

What is the InChIKey of 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene?

The InChIKey is HROBXYHYKOTCQT-NIKSBTOOSA-N. The full InChI is InChI=1S/C24H25F3O/c1-7-20-13-14-21(24(27)23(20)26)12-10-16(3)9-11-17(4)19(6)22(25)15-18(5)28-8-2/h7,9,11,13-15H,1,3-6,8,10,12H2,2H3/b11-9-,22-15+.

What are the key properties of 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene?

1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene has a molecular weight of 386.46 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene is sourced from PubChem (CID 143875063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).