N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide

C13H20F6N2O2 — CID 4196124

IUPACN,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCC
InChIInChI=1S/C13H20F6N2O2/c1-3-5-7-20-9(22)11(14,15)13(18,19)12(16,17)10(23)21-8-6-4-2/h3-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXPQZVLVXRPSHOU-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.72
Rot. Bonds10

About N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide

N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide (PubChem CID 4196124) has the molecular formula C13H20F6N2O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide.

Molecular Properties

Compound NameN,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide
PubChem CID4196124
Molecular FormulaC13H20F6N2O2
Molecular Weight350.30 g/mol
Exact Mass350.14
IUPAC NameN,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCC
InChIInChI=1S/C13H20F6N2O2/c1-3-5-7-20-9(22)11(14,15)13(18,19)12(16,17)10(23)21-8-6-4-2/h3-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXPQZVLVXRPSHOU-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.72
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 N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide?
The IUPAC name of N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide (CID 4196124) is N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide.
What is the SMILES notation for N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide?
The canonical SMILES for N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide is CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCC.
What is the InChIKey of N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide?
The InChIKey is XPQZVLVXRPSHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2O2/c1-3-5-7-20-9(22)11(14,15)13(18,19)12(16,17)10(23)21-8-6-4-2/h3-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide?
N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide has a molecular weight of 350.30 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide is sourced from PubChem (CID 4196124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).