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

C9H12F6N2O2 — CID 4086335

IUPACN,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide
SMILESCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC
InChIInChI=1S/C9H12F6N2O2/c1-3-16-5(18)7(10,11)9(14,15)8(12,13)6(19)17-4-2/h3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFGASMBUQHPPOTJ-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.16
Rot. Bonds6

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

N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide (PubChem CID 4086335) has the molecular formula C9H12F6N2O2 and a molecular weight of 294.20 g/mol. Its IUPAC name is N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide.

Molecular Properties

Compound NameN,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide
PubChem CID4086335
Molecular FormulaC9H12F6N2O2
Molecular Weight294.20 g/mol
Exact Mass294.08
IUPAC NameN,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide
SMILESCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC
InChIInChI=1S/C9H12F6N2O2/c1-3-16-5(18)7(10,11)9(14,15)8(12,13)6(19)17-4-2/h3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFGASMBUQHPPOTJ-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
N-[3-(Dimethylamino)propyl]-perfluorohexanamide
CID 139596925
1-Aminopentane PFP
CID 600673
1-Aminohexane, PFP
CID 600779
N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
CID 3089628
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
N,N'-bis(Perfluoropentanoyl)1,2-ethanediamine
CID 4148151

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide?
The IUPAC name of N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide (CID 4086335) is N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide.
What is the SMILES notation for N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide?
The canonical SMILES for N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide is CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC.
What is the InChIKey of N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide?
The InChIKey is FGASMBUQHPPOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O2/c1-3-16-5(18)7(10,11)9(14,15)8(12,13)6(19)17-4-2/h3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide?
N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide has a molecular weight of 294.20 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2,2,3,3,4,4-hexafluoropentanediamide is sourced from PubChem (CID 4086335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).