2,2-difluoro-N'-propanoylpropanediamide

C6H8F2N2O3 — CID 59193585

IUPAC2,2-difluoro-N'-propanoylpropanediamide
SMILESCCC(=O)NC(=O)C(F)(F)C(N)=O
InChIInChI=1S/C6H8F2N2O3/c1-2-3(11)10-5(13)6(7,8)4(9)12/h2H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeyAQCMJQDFBRRSNI-UHFFFAOYSA-N
MW194.14 g/mol
LogP-0.84
Rot. Bonds3

About 2,2-difluoro-N'-propanoylpropanediamide

2,2-difluoro-N'-propanoylpropanediamide (PubChem CID 59193585) has the molecular formula C6H8F2N2O3 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2,2-difluoro-N'-propanoylpropanediamide.

Molecular Properties

Compound Name2,2-difluoro-N'-propanoylpropanediamide
PubChem CID59193585
Molecular FormulaC6H8F2N2O3
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Name2,2-difluoro-N'-propanoylpropanediamide
SMILESCCC(=O)NC(=O)C(F)(F)C(N)=O
InChIInChI=1S/C6H8F2N2O3/c1-2-3(11)10-5(13)6(7,8)4(9)12/h2H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeyAQCMJQDFBRRSNI-UHFFFAOYSA-N
XLogP-0.84
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N'-propanoylpropanediamide 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-difluoro-N'-propanoylpropanediamide?
The IUPAC name of 2,2-difluoro-N'-propanoylpropanediamide (CID 59193585) is 2,2-difluoro-N'-propanoylpropanediamide.
What is the SMILES notation for 2,2-difluoro-N'-propanoylpropanediamide?
The canonical SMILES for 2,2-difluoro-N'-propanoylpropanediamide is CCC(=O)NC(=O)C(F)(F)C(N)=O.
What is the InChIKey of 2,2-difluoro-N'-propanoylpropanediamide?
The InChIKey is AQCMJQDFBRRSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O3/c1-2-3(11)10-5(13)6(7,8)4(9)12/h2H2,1H3,(H2,9,12)(H,10,11,13).
What are the key properties of 2,2-difluoro-N'-propanoylpropanediamide?
2,2-difluoro-N'-propanoylpropanediamide has a molecular weight of 194.14 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-propanoylpropanediamide is sourced from PubChem (CID 59193585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).