difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium

C13F32NSi+ — CID 172816411

About difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium

difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium (PubChem CID 172816411) has the molecular formula C13F32NSi+ and a molecular weight of 806.17 g/mol. Its IUPAC name is difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium.

Molecular Properties

• Compound Name: difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium
• PubChem CID: 172816411
• Molecular Formula: C13F32NSi+
• Molecular Weight: 806.17 g/mol
• Exact Mass: 805.93
• IUPAC Name: difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)[Si](C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C13F32NSi/c14-1(15,3(18,19)6(24,25)26)2(16,17)4(20,21)10(36,37)46(44,45)47(12(40,41)8(30,31)32,13(42,43)9(33,34)35)11(38,39)5(22,23)7(27,28)29/q+1
• InChIKey: SWFQOOGCQNDKGH-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.17
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?

The IUPAC name of difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium (CID 172816411) is difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium.

What is the SMILES notation for difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?

The canonical SMILES for difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[N+](F)(F)[Si](C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?

The InChIKey is SWFQOOGCQNDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F32NSi/c14-1(15,3(18,19)6(24,25)26)2(16,17)4(20,21)10(36,37)46(44,45)47(12(40,41)8(30,31)32,13(42,43)9(33,34)35)11(38,39)5(22,23)7(27,28)29/q+1.

What are the key properties of difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium?

difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium has a molecular weight of 806.17 g/mol, XLogP of 10.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for difluoro-[1,1,2,2,3,3,3-heptafluoropropyl-bis(1,1,2,2,2-pentafluoroethyl)silyl]-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)azanium is sourced from PubChem (CID 172816411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).