(3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene

C26H32F8O3 — CID 144687334

About (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene

(3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene (PubChem CID 144687334) has the molecular formula C26H32F8O3 and a molecular weight of 544.52 g/mol. Its IUPAC name is (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene.

Molecular Properties

• Compound Name: (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene
• PubChem CID: 144687334
• Molecular Formula: C26H32F8O3
• Molecular Weight: 544.52 g/mol
• Exact Mass: 544.22
• IUPAC Name: (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene
• SMILES: C=C(/C=C(\F)C(=C)OC(F)(F)F)C(=C)/C(F)=C(/F)C(=C)OC(F)(F)/C(C)=C/CC(C)C(C)OCC(C)C
• InChI: InChI=1S/C26H32F8O3/c1-14(2)13-35-19(7)15(3)10-11-17(5)25(30,31)36-21(9)24(29)23(28)18(6)16(4)12-22(27)20(8)37-26(32,33)34/h11-12,14-15,19H,4,6,8-10,13H2,1-3,5,7H3/b17-11+,22-12+,24-23-
• InChIKey: TWXFOTLUQOSGML-XHTFQAKYSA-N
• XLogP: 9.31
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.52
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene?

The IUPAC name of (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene (CID 144687334) is (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene.

What is the SMILES notation for (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene?

The canonical SMILES for (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene is C=C(/C=C(\F)C(=C)OC(F)(F)F)C(=C)/C(F)=C(/F)C(=C)OC(F)(F)/C(C)=C/CC(C)C(C)OCC(C)C.

What is the InChIKey of (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene?

The InChIKey is TWXFOTLUQOSGML-XHTFQAKYSA-N. The full InChI is InChI=1S/C26H32F8O3/c1-14(2)13-35-19(7)15(3)10-11-17(5)25(30,31)36-21(9)24(29)23(28)18(6)16(4)12-22(27)20(8)37-26(32,33)34/h11-12,14-15,19H,4,6,8-10,13H2,1-3,5,7H3/b17-11+,22-12+,24-23-.

What are the key properties of (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene?

(3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene has a molecular weight of 544.52 g/mol, XLogP of 9.31, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,7E)-2-[(E)-1,1-difluoro-2,5-dimethyl-6-(2-methylpropoxy)hept-2-enoxy]-3,4,8-trifluoro-5,6-dimethylidene-9-(trifluoromethoxy)deca-1,3,7,9-tetraene is sourced from PubChem (CID 144687334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).