1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene

C19H22F2O — CID 144630979

About 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene

1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene (PubChem CID 144630979) has the molecular formula C19H22F2O and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene.

Molecular Properties

• Compound Name: 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene
• PubChem CID: 144630979
• Molecular Formula: C19H22F2O
• Molecular Weight: 304.38 g/mol
• Exact Mass: 304.16
• IUPAC Name: 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene
• SMILES: C=C(/C=C\C(=C)C1=CCCC1)C(=C)/C(F)=C(/F)C(=C)OCC
• InChI: InChI=1S/C19H22F2O/c1-6-22-16(5)19(21)18(20)15(4)13(2)11-12-14(3)17-9-7-8-10-17/h9,11-12H,2-8,10H2,1H3/b12-11-,19-18-
• InChIKey: FPUASQRXYKFPFZ-GMRTXPORSA-N
• XLogP: 6.02
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	304.38
LogP ≤ 5	6.02
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-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene?

The IUPAC name of 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene (CID 144630979) is 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene.

What is the SMILES notation for 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene?

The canonical SMILES for 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene is C=C(/C=C\C(=C)C1=CCCC1)C(=C)/C(F)=C(/F)C(=C)OCC.

What is the InChIKey of 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene?

The InChIKey is FPUASQRXYKFPFZ-GMRTXPORSA-N. The full InChI is InChI=1S/C19H22F2O/c1-6-22-16(5)19(21)18(20)15(4)13(2)11-12-14(3)17-9-7-8-10-17/h9,11-12H,2-8,10H2,1H3/b12-11-,19-18-.

What are the key properties of 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene?

1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene has a molecular weight of 304.38 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]cyclopentene is sourced from PubChem (CID 144630979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).