2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine

C21H40F6N2 — CID 170692691

About 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine

2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine (PubChem CID 170692691) has the molecular formula C21H40F6N2 and a molecular weight of 434.55 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine.

Molecular Properties

• Compound Name: 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine
• PubChem CID: 170692691
• Molecular Formula: C21H40F6N2
• Molecular Weight: 434.55 g/mol
• Exact Mass: 434.31
• IUPAC Name: 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine
• SMILES: CC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C
• InChI: InChI=1S/C21H40F6N2/c1-15(2,3)11-17(7,8)28-13-19(22,23)21(26,27)20(24,25)14-29-18(9,10)12-16(4,5)6/h28-29H,11-14H2,1-10H3
• InChIKey: LTKZOKCVJXJFEL-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.55
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine?

The IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine (CID 170692691) is 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine.

What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine?

The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine is CC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C.

What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine?

The InChIKey is LTKZOKCVJXJFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40F6N2/c1-15(2,3)11-17(7,8)28-13-19(22,23)21(26,27)20(24,25)14-29-18(9,10)12-16(4,5)6/h28-29H,11-14H2,1-10H3.

What are the key properties of 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine?

2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine has a molecular weight of 434.55 g/mol, XLogP of 6.50, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 170692691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).