7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane

C14H20F14N2Si — CID 172778542

About 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane

7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane (PubChem CID 172778542) has the molecular formula C14H20F14N2Si and a molecular weight of 510.39 g/mol. Its IUPAC name is 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane.

Molecular Properties

• Compound Name: 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane
• PubChem CID: 172778542
• Molecular Formula: C14H20F14N2Si
• Molecular Weight: 510.39 g/mol
• Exact Mass: 510.12
• IUPAC Name: 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane
• SMILES: N[Si](N)(CCCCC(F)(F)C(F)(F)C(F)(F)F)CCCCC(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C14H20F14N2Si/c15-9(16,11(19,20)13(23,24)25)5-1-3-7-31(29,30)8-4-2-6-10(17,18)12(21,22)14(26,27)28/h1-8,29-30H2
• InChIKey: NXZGHZVICFQBOD-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.39
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane?

The IUPAC name of 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane (CID 172778542) is 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane.

What is the SMILES notation for 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane?

The canonical SMILES for 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane is N[Si](N)(CCCCC(F)(F)C(F)(F)C(F)(F)F)CCCCC(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane?

The InChIKey is NXZGHZVICFQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F14N2Si/c15-9(16,11(19,20)13(23,24)25)5-1-3-7-31(29,30)8-4-2-6-10(17,18)12(21,22)14(26,27)28/h1-8,29-30H2.

What are the key properties of 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane?

7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane has a molecular weight of 510.39 g/mol, XLogP of 6.35, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane is sourced from PubChem (CID 172778542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).