1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol

C19H21F11O — CID 23591021

About 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol

1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol (PubChem CID 23591021) has the molecular formula C19H21F11O and a molecular weight of 474.35 g/mol. Its IUPAC name is 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol.

Molecular Properties

• Compound Name: 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol
• PubChem CID: 23591021
• Molecular Formula: C19H21F11O
• Molecular Weight: 474.35 g/mol
• Exact Mass: 474.14
• IUPAC Name: 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol
• SMILES: C=C(CC(CC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CC2(CCCC2)C1
• InChI: InChI=1S/C19H21F11O/c1-10(11-7-15(8-11)4-2-3-5-15)6-12(17(23,24)13(20)14(21)22)9-16(31,18(25,26)27)19(28,29)30/h11-12,31H,1-9H2
• InChIKey: WGWSGPDXJKMWGY-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.35
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol?

The IUPAC name of 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol (CID 23591021) is 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol.

What is the SMILES notation for 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol?

The canonical SMILES for 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol is C=C(CC(CC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CC2(CCCC2)C1.

What is the InChIKey of 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol?

The InChIKey is WGWSGPDXJKMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F11O/c1-10(11-7-15(8-11)4-2-3-5-15)6-12(17(23,24)13(20)14(21)22)9-16(31,18(25,26)27)19(28,29)30/h11-12,31H,1-9H2.

What are the key properties of 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol?

1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol has a molecular weight of 474.35 g/mol, XLogP of 7.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,5,5,6,7,7-octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol is sourced from PubChem (CID 23591021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).