2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide

C8H8F8N2O2 — CID 154293915

IUPAC2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC
InChIInChI=1S/C8H8F8N2O2/c1-17-3(19)5(9,10)7(13,14)8(15,16)6(11,12)4(20)18-2/h1-2H3,(H,17,19)(H,18,20)
InChIKeyOTZRDTRKVCFYOU-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.02
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide

2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide (PubChem CID 154293915) has the molecular formula C8H8F8N2O2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide
PubChem CID154293915
Molecular FormulaC8H8F8N2O2
Molecular Weight316.15 g/mol
Exact Mass316.05
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC
InChIInChI=1S/C8H8F8N2O2/c1-17-3(19)5(9,10)7(13,14)8(15,16)6(11,12)4(20)18-2/h1-2H3,(H,17,19)(H,18,20)
InChIKeyOTZRDTRKVCFYOU-UHFFFAOYSA-N
XLogP1.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.02
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 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide (CID 154293915) is 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide is CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide?
The InChIKey is OTZRDTRKVCFYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8N2O2/c1-17-3(19)5(9,10)7(13,14)8(15,16)6(11,12)4(20)18-2/h1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide?
2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide has a molecular weight of 316.15 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N,N'-dimethylhexanediamide is sourced from PubChem (CID 154293915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).