3-(difluoroamino)propanamide

C3H6F2N2O — CID 22154880

IUPAC3-(difluoroamino)propanamide
SMILESNC(=O)CCN(F)F
InChIInChI=1S/C3H6F2N2O/c4-7(5)2-1-3(6)8/h1-2H2,(H2,6,8)
InChIKeyCLBQGVYQOSMTQE-UHFFFAOYSA-N
MW124.09 g/mol
LogP-0.07
Rot. Bonds3

About 3-(difluoroamino)propanamide

3-(difluoroamino)propanamide (PubChem CID 22154880) has the molecular formula C3H6F2N2O and a molecular weight of 124.09 g/mol. Its IUPAC name is 3-(difluoroamino)propanamide.

Molecular Properties

Compound Name3-(difluoroamino)propanamide
PubChem CID22154880
Molecular FormulaC3H6F2N2O
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Name3-(difluoroamino)propanamide
SMILESNC(=O)CCN(F)F
InChIInChI=1S/C3H6F2N2O/c4-7(5)2-1-3(6)8/h1-2H2,(H2,6,8)
InChIKeyCLBQGVYQOSMTQE-UHFFFAOYSA-N
XLogP-0.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoroamino)propanamide?
The IUPAC name of 3-(difluoroamino)propanamide (CID 22154880) is 3-(difluoroamino)propanamide.
What is the SMILES notation for 3-(difluoroamino)propanamide?
The canonical SMILES for 3-(difluoroamino)propanamide is NC(=O)CCN(F)F.
What is the InChIKey of 3-(difluoroamino)propanamide?
The InChIKey is CLBQGVYQOSMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N2O/c4-7(5)2-1-3(6)8/h1-2H2,(H2,6,8).
What are the key properties of 3-(difluoroamino)propanamide?
3-(difluoroamino)propanamide has a molecular weight of 124.09 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoroamino)propanamide is sourced from PubChem (CID 22154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).