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

C11H16F6N2O2 — CID 4280658

IUPAC2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCC
InChIInChI=1S/C11H16F6N2O2/c1-3-5-18-7(20)9(12,13)11(16,17)10(14,15)8(21)19-6-4-2/h3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBFROGXTZWYCNCO-UHFFFAOYSA-N
MW322.25 g/mol
LogP1.94
Rot. Bonds8

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

2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide (PubChem CID 4280658) has the molecular formula C11H16F6N2O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide
PubChem CID4280658
Molecular FormulaC11H16F6N2O2
Molecular Weight322.25 g/mol
Exact Mass322.11
IUPAC Name2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCC
InChIInChI=1S/C11H16F6N2O2/c1-3-5-18-7(20)9(12,13)11(16,17)10(14,15)8(21)19-6-4-2/h3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBFROGXTZWYCNCO-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide (CID 4280658) is 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide is CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCC.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide?
The InChIKey is BFROGXTZWYCNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O2/c1-3-5-18-7(20)9(12,13)11(16,17)10(14,15)8(21)19-6-4-2/h3-6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide?
2,2,3,3,4,4-hexafluoro-N,N'-dipropylpentanediamide has a molecular weight of 322.25 g/mol, XLogP of 1.94, 8 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'-dipropylpentanediamide is sourced from PubChem (CID 4280658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).