2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene

C25H30F2O — CID 145339827

About 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene

2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene (PubChem CID 145339827) has the molecular formula C25H30F2O and a molecular weight of 384.51 g/mol. Its IUPAC name is 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene.

Molecular Properties

• Compound Name: 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene
• PubChem CID: 145339827
• Molecular Formula: C25H30F2O
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.23
• IUPAC Name: 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene
• SMILES: C=C(/C=C\C(=C)C(=C)/C=C\C(=C)CCc1ccc(OCCC)c(F)c1F)CC
• InChI: InChI=1S/C25H30F2O/c1-7-17-28-23-16-15-22(24(26)25(23)27)14-11-19(4)10-13-21(6)20(5)12-9-18(3)8-2/h9-10,12-13,15-16H,3-8,11,14,17H2,1-2H3/b12-9-,13-10-
• InChIKey: DNVIJWMEVJACTC-QKFASICWSA-N
• XLogP: 7.43
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene?

The IUPAC name of 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene (CID 145339827) is 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene.

What is the SMILES notation for 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene?

The canonical SMILES for 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene is C=C(/C=C\C(=C)C(=C)/C=C\C(=C)CCc1ccc(OCCC)c(F)c1F)CC.

What is the InChIKey of 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene?

The InChIKey is DNVIJWMEVJACTC-QKFASICWSA-N. The full InChI is InChI=1S/C25H30F2O/c1-7-17-28-23-16-15-22(24(26)25(23)27)14-11-19(4)10-13-21(6)20(5)12-9-18(3)8-2/h9-10,12-13,15-16H,3-8,11,14,17H2,1-2H3/b12-9-,13-10-.

What are the key properties of 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene?

2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene has a molecular weight of 384.51 g/mol, XLogP of 7.43, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-1-propoxy-4-[(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-dienyl]benzene is sourced from PubChem (CID 145339827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).