(Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine

C14F21N — CID 11071967

About (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine

(Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine (PubChem CID 11071967) has the molecular formula C14F21N and a molecular weight of 581.12 g/mol. Its IUPAC name is (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine.

Molecular Properties

• Compound Name: (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine
• PubChem CID: 11071967
• Molecular Formula: C14F21N
• Molecular Weight: 581.12 g/mol
• Exact Mass: 580.97
• IUPAC Name: (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine
• SMILES: Fc1c(F)c(F)c(/C(=N/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F
• InChI: InChI=1S/C14F21N/c15-2-1(3(16)5(18)6(19)4(2)17)7(8(20,21)9(22,23)12(28,29)30)36-14(34,35)11(26,27)10(24,25)13(31,32)33/b36-7-
• InChIKey: GHCHEUWVPWTUIM-HNBOPHLGSA-N
• XLogP: 7.43
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.12
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine?

The IUPAC name of (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine (CID 11071967) is (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine.

What is the SMILES notation for (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine?

The canonical SMILES for (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine is Fc1c(F)c(F)c(/C(=N/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F.

What is the InChIKey of (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine?

The InChIKey is GHCHEUWVPWTUIM-HNBOPHLGSA-N. The full InChI is InChI=1S/C14F21N/c15-2-1(3(16)5(18)6(19)4(2)17)7(8(20,21)9(22,23)12(28,29)30)36-14(34,35)11(26,27)10(24,25)13(31,32)33/b36-7-.

What are the key properties of (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine?

(Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine has a molecular weight of 581.12 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-(2,3,4,5,6-pentafluorophenyl)butan-1-imine is sourced from PubChem (CID 11071967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).