1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene

C25H16F23N — CID 87992723

About 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene

1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene (PubChem CID 87992723) has the molecular formula C25H16F23N and a molecular weight of 767.36 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene.

Molecular Properties

• Compound Name: 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene
• PubChem CID: 87992723
• Molecular Formula: C25H16F23N
• Molecular Weight: 767.36 g/mol
• Exact Mass: 767.09
• IUPAC Name: 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene
• SMILES: CCCCCCC(F)(F)C(F)(F)C(F)(F)NCF.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F
• InChI: InChI=1S/C15F16.C10H16F7N/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;1-2-3-4-5-6-8(12,13)9(14,15)10(16,17)18-7-11/h;18H,2-7H2,1H3
• InChIKey: JBFCHFGGEBOEQM-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.36
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?

The IUPAC name of 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene (CID 87992723) is 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene.

What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?

The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene is CCCCCCC(F)(F)C(F)(F)C(F)(F)NCF.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F.

What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?

The InChIKey is JBFCHFGGEBOEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F16.C10H16F7N/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;1-2-3-4-5-6-8(12,13)9(14,15)10(16,17)18-7-11/h;18H,2-7H2,1H3.

What are the key properties of 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?

1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene has a molecular weight of 767.36 g/mol, XLogP of 11.48, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3-hexafluoro-N-(fluoromethyl)nonan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 87992723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).