(Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene

C12F24 — CID 166521314

About (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene

(Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene (PubChem CID 166521314) has the molecular formula C12F24 and a molecular weight of 600.08 g/mol. Its IUPAC name is (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene.

Molecular Properties

• Compound Name: (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene
• PubChem CID: 166521314
• Molecular Formula: C12F24
• Molecular Weight: 600.08 g/mol
• Exact Mass: 599.96
• IUPAC Name: (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene
• SMILES: F/C(=C(\C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C12F24/c13-2(5(18,19)10(28,29)30)1(4(16,17)7(22,23)11(31,32)33)3(14,15)6(20,21)8(24,25)9(26,27)12(34,35)36/b2-1-
• InChIKey: YVWDUSJACSEOLP-UPHRSURJSA-N
• XLogP: 8.34
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.08
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene?

The IUPAC name of (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene (CID 166521314) is (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene.

What is the SMILES notation for (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene?

The canonical SMILES for (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene is F/C(=C(\C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.

What is the InChIKey of (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene?

The InChIKey is YVWDUSJACSEOLP-UPHRSURJSA-N. The full InChI is InChI=1S/C12F24/c13-2(5(18,19)10(28,29)30)1(4(16,17)7(22,23)11(31,32)33)3(14,15)6(20,21)8(24,25)9(26,27)12(34,35)36/b2-1-.

What are the key properties of (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene?

(Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene has a molecular weight of 600.08 g/mol, XLogP of 8.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene is sourced from PubChem (CID 166521314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).