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

C7H8F6N2O2 — CID 4191133

IUPAC2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NC
InChIInChI=1S/C7H8F6N2O2/c1-14-3(16)5(8,9)7(12,13)6(10,11)4(17)15-2/h1-2H3,(H,14,16)(H,15,17)
InChIKeyCFOSYHHGYICXGG-UHFFFAOYSA-N
MW266.14 g/mol
LogP0.38
Rot. Bonds4

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

2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide (PubChem CID 4191133) has the molecular formula C7H8F6N2O2 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide
PubChem CID4191133
Molecular FormulaC7H8F6N2O2
Molecular Weight266.14 g/mol
Exact Mass266.05
IUPAC Name2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NC
InChIInChI=1S/C7H8F6N2O2/c1-14-3(16)5(8,9)7(12,13)6(10,11)4(17)15-2/h1-2H3,(H,14,16)(H,15,17)
InChIKeyCFOSYHHGYICXGG-UHFFFAOYSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,5-Nonafluoro-N-methylpentanamide
CID 4086334
N-methyl-2,2-difluorovaleramide
CID 21898289
N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide
CID 4086335
N,N'-dibutyl-2,2,3,3,4,4-hexafluoropentanediamide
CID 4196124
2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide
CID 4280658
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-dimethylheptanediamide
CID 4421477
2,2,3,3,4,4-hexafluoro-N,N'-dipentylpentanediamide
CID 4525571
2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide
CID 154293915

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide (CID 4191133) is 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide is CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NC.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide?
The InChIKey is CFOSYHHGYICXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6N2O2/c1-14-3(16)5(8,9)7(12,13)6(10,11)4(17)15-2/h1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide?
2,2,3,3,4,4-hexafluoro-N,N'-dimethylpentanediamide has a molecular weight of 266.14 g/mol, XLogP of 0.38, 4 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'-dimethylpentanediamide is sourced from PubChem (CID 4191133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).