8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile

C16F24N2O — CID 173310680

About 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile

8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile (PubChem CID 173310680) has the molecular formula C16F24N2O and a molecular weight of 692.14 g/mol. Its IUPAC name is 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile.

Molecular Properties

• Compound Name: 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile
• PubChem CID: 173310680
• Molecular Formula: C16F24N2O
• Molecular Weight: 692.14 g/mol
• Exact Mass: 691.96
• IUPAC Name: 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile
• SMILES: N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#N
• InChI: InChI=1S/C16F24N2O/c17-3(9(25,26)13(33,34)15(37,38)11(29,30)7(21,22)1-41)5(19)43-6(20)4(18)10(27,28)14(35,36)16(39,40)12(31,32)8(23,24)2-42
• InChIKey: FIMWZCRLAJKPIA-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 56.81 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.14
LogP ≤ 5	8.62
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile?

The IUPAC name of 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile (CID 173310680) is 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile.

What is the SMILES notation for 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile?

The canonical SMILES for 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile is N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#N.

What is the InChIKey of 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile?

The InChIKey is FIMWZCRLAJKPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F24N2O/c17-3(9(25,26)13(33,34)15(37,38)11(29,30)7(21,22)1-41)5(19)43-6(20)4(18)10(27,28)14(35,36)16(39,40)12(31,32)8(23,24)2-42.

What are the key properties of 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile?

8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile has a molecular weight of 692.14 g/mol, XLogP of 8.62, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile is sourced from PubChem (CID 173310680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).