2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide

C15H24F6N2O2 — CID 4525571

IUPAC2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCC
InChIInChI=1S/C15H24F6N2O2/c1-3-5-7-9-22-11(24)13(16,17)15(20,21)14(18,19)12(25)23-10-8-6-4-2/h3-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOCHPMBHPXRWDJS-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.51
Rot. Bonds12

About 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide

2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide (PubChem CID 4525571) has the molecular formula C15H24F6N2O2 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide
PubChem CID4525571
Molecular FormulaC15H24F6N2O2
Molecular Weight378.36 g/mol
Exact Mass378.17
IUPAC Name2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCC
InChIInChI=1S/C15H24F6N2O2/c1-3-5-7-9-22-11(24)13(16,17)15(20,21)14(18,19)12(25)23-10-8-6-4-2/h3-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOCHPMBHPXRWDJS-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide (CID 4525571) is 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide is CCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCC.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide?
The InChIKey is OCHPMBHPXRWDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6N2O2/c1-3-5-7-9-22-11(24)13(16,17)15(20,21)14(18,19)12(25)23-10-8-6-4-2/h3-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide?
2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide has a molecular weight of 378.36 g/mol, XLogP of 3.51, 12 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'-dipentylpentanediamide is sourced from PubChem (CID 4525571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).