4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine

C12H6F19N — CID 160565387

About 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine

4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine (PubChem CID 160565387) has the molecular formula C12H6F19N and a molecular weight of 525.15 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine.

Molecular Properties

• Compound Name: 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine
• PubChem CID: 160565387
• Molecular Formula: C12H6F19N
• Molecular Weight: 525.15 g/mol
• Exact Mass: 525.02
• IUPAC Name: 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine
• SMILES: CC(C)=C(N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C12H6F19N/c1-3(2)4(5(13,14)8(19,20)21)32(11(28,29)6(15,16)9(22,23)24)12(30,31)7(17,18)10(25,26)27/h1-2H3
• InChIKey: PQQOULQMJPSYSW-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.15
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine?

The IUPAC name of 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine (CID 160565387) is 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine.

What is the SMILES notation for 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine?

The canonical SMILES for 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine is CC(C)=C(N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.

What is the InChIKey of 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine?

The InChIKey is PQQOULQMJPSYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F19N/c1-3(2)4(5(13,14)8(19,20)21)32(11(28,29)6(15,16)9(22,23)24)12(30,31)7(17,18)10(25,26)27/h1-2H3.

What are the key properties of 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine?

4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine has a molecular weight of 525.15 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine is sourced from PubChem (CID 160565387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).