2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine

C7H12F6N2 — CID 10243262

IUPAC2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine
SMILESCNCC(F)(F)C(F)(F)C(F)(F)CNC
InChIInChI=1S/C7H12F6N2/c1-14-3-5(8,9)7(12,13)6(10,11)4-15-2/h14-15H,3-4H2,1-2H3
InChIKeyOLBXVXHMAPDSOH-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.33
Rot. Bonds6

About 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine

2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine (PubChem CID 10243262) has the molecular formula C7H12F6N2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine
PubChem CID10243262
Molecular FormulaC7H12F6N2
Molecular Weight238.17 g/mol
Exact Mass238.09
IUPAC Name2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine
SMILESCNCC(F)(F)C(F)(F)C(F)(F)CNC
InChIInChI=1S/C7H12F6N2/c1-14-3-5(8,9)7(12,13)6(10,11)4-15-2/h14-15H,3-4H2,1-2H3
InChIKeyOLBXVXHMAPDSOH-UHFFFAOYSA-N
XLogP1.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-dimethylpentane-1,5-diamine?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine (CID 10243262) is 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine is CNCC(F)(F)C(F)(F)C(F)(F)CNC.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine?
The InChIKey is OLBXVXHMAPDSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F6N2/c1-14-3-5(8,9)7(12,13)6(10,11)4-15-2/h14-15H,3-4H2,1-2H3.
What are the key properties of 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine?
2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentane-1,5-diamine has a molecular weight of 238.17 g/mol, XLogP of 1.33, 6 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'-dimethylpentane-1,5-diamine is sourced from PubChem (CID 10243262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).