N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine

C13H24F6N2 — CID 101055983

IUPACN,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine
SMILESCCCCNCC(F)(F)C(F)(F)C(F)(F)CNCCCC
InChIInChI=1S/C13H24F6N2/c1-3-5-7-20-9-11(14,15)13(18,19)12(16,17)10-21-8-6-4-2/h20-21H,3-10H2,1-2H3
InChIKeyJOLFGLZRFWLQOO-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.67
Rot. Bonds12

About N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine

N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine (PubChem CID 101055983) has the molecular formula C13H24F6N2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine
PubChem CID101055983
Molecular FormulaC13H24F6N2
Molecular Weight322.34 g/mol
Exact Mass322.18
IUPAC NameN,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine
SMILESCCCCNCC(F)(F)C(F)(F)C(F)(F)CNCCCC
InChIInChI=1S/C13H24F6N2/c1-3-5-7-20-9-11(14,15)13(18,19)12(16,17)10-21-8-6-4-2/h20-21H,3-10H2,1-2H3
InChIKeyJOLFGLZRFWLQOO-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.67
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-hexafluoropentane-1,5-diamine?
The IUPAC name of N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine (CID 101055983) is N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine.
What is the SMILES notation for N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine?
The canonical SMILES for N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine is CCCCNCC(F)(F)C(F)(F)C(F)(F)CNCCCC.
What is the InChIKey of N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine?
The InChIKey is JOLFGLZRFWLQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F6N2/c1-3-5-7-20-9-11(14,15)13(18,19)12(16,17)10-21-8-6-4-2/h20-21H,3-10H2,1-2H3.
What are the key properties of N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine?
N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentane-1,5-diamine has a molecular weight of 322.34 g/mol, XLogP of 3.67, 12 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-hexafluoropentane-1,5-diamine is sourced from PubChem (CID 101055983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).