2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide

C23H6F40N6 — CID 143609864

About 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide

2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide (PubChem CID 143609864) has the molecular formula C23H6F40N6 and a molecular weight of 1126.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide
• PubChem CID: 143609864
• Molecular Formula: C23H6F40N6
• Molecular Weight: 1126.26 g/mol
• Exact Mass: 1126.00
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide
• SMILES: [H]/N=C(\N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=N\[H])N(/C(=N/[H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/C(=N/[H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C23H6F40N6/c24-5(25,1(64)65)9(32,33)13(40,41)10(34,35)6(26,27)2(66)69(3(67)7(28,29)11(36,37)14(42,43)16(46,47)18(50,51)20(54,55)22(58,59)60)4(68)8(30,31)12(38,39)15(44,45)17(48,49)19(52,53)21(56,57)23(61,62)63/h66-68H,(H3,64,65)/b66-2+,67-3+,68-4+
• InChIKey: BZWMQESSUXDFTB-UADFHADESA-N
• XLogP: 12.08
• TPSA: 124.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.26
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide?

The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide (CID 143609864) is 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide is [H]/N=C(\N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=N\[H])N(/C(=N/[H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/C(=N/[H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide?

The InChIKey is BZWMQESSUXDFTB-UADFHADESA-N. The full InChI is InChI=1S/C23H6F40N6/c24-5(25,1(64)65)9(32,33)13(40,41)10(34,35)6(26,27)2(66)69(3(67)7(28,29)11(36,37)14(42,43)16(46,47)18(50,51)20(54,55)22(58,59)60)4(68)8(30,31)12(38,39)15(44,45)17(48,49)19(52,53)21(56,57)23(61,62)63/h66-68H,(H3,64,65)/b66-2+,67-3+,68-4+.

What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide?

2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide has a molecular weight of 1126.26 g/mol, XLogP of 12.08, 18 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-7-N,7-N-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanimidoyl)heptanediimidamide is sourced from PubChem (CID 143609864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).