2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide

C4H5BrF2N2O3 — CID 130620295

IUPAC2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide
SMILESO=C(CO)NNC(=O)C(F)(F)Br
InChIInChI=1S/C4H5BrF2N2O3/c5-4(6,7)3(12)9-8-2(11)1-10/h10H,1H2,(H,8,11)(H,9,12)
InChIKeyDJUNTZASMJHYDW-UHFFFAOYSA-N
MW247.00 g/mol
LogP-0.89
Rot. Bonds2

About 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide

2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide (PubChem CID 130620295) has the molecular formula C4H5BrF2N2O3 and a molecular weight of 247.00 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide
PubChem CID130620295
Molecular FormulaC4H5BrF2N2O3
Molecular Weight247.00 g/mol
Exact Mass245.95
IUPAC Name2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide
SMILESO=C(CO)NNC(=O)C(F)(F)Br
InChIInChI=1S/C4H5BrF2N2O3/c5-4(6,7)3(12)9-8-2(11)1-10/h10H,1H2,(H,8,11)(H,9,12)
InChIKeyDJUNTZASMJHYDW-UHFFFAOYSA-N
XLogP-0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide?
The IUPAC name of 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide (CID 130620295) is 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide?
The canonical SMILES for 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide is O=C(CO)NNC(=O)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide?
The InChIKey is DJUNTZASMJHYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF2N2O3/c5-4(6,7)3(12)9-8-2(11)1-10/h10H,1H2,(H,8,11)(H,9,12).
What are the key properties of 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide?
2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide has a molecular weight of 247.00 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N'-(2-hydroxyacetyl)acetohydrazide is sourced from PubChem (CID 130620295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).