2-bromo-2,2-difluoroacetohydrazide

C2H3BrF2N2O — CID 15528645

IUPAC2-bromo-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)Br
InChIInChI=1S/C2H3BrF2N2O/c3-2(4,5)1(8)7-6/h6H2,(H,7,8)
InChIKeyVLXCWPKJLSJDBZ-UHFFFAOYSA-N
MW188.96 g/mol
LogP-0.04
Rot. Bonds1

About 2-bromo-2,2-difluoroacetohydrazide

2-bromo-2,2-difluoroacetohydrazide (PubChem CID 15528645) has the molecular formula C2H3BrF2N2O and a molecular weight of 188.96 g/mol. Its IUPAC name is 2-bromo-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-bromo-2,2-difluoroacetohydrazide
PubChem CID15528645
Molecular FormulaC2H3BrF2N2O
Molecular Weight188.96 g/mol
Exact Mass187.94
IUPAC Name2-bromo-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)Br
InChIInChI=1S/C2H3BrF2N2O/c3-2(4,5)1(8)7-6/h6H2,(H,7,8)
InChIKeyVLXCWPKJLSJDBZ-UHFFFAOYSA-N
XLogP-0.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.96
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trifluoroacetohydrazide
CID 229753

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoroacetohydrazide?
The IUPAC name of 2-bromo-2,2-difluoroacetohydrazide (CID 15528645) is 2-bromo-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-bromo-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-bromo-2,2-difluoroacetohydrazide is NNC(=O)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoroacetohydrazide?
The InChIKey is VLXCWPKJLSJDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrF2N2O/c3-2(4,5)1(8)7-6/h6H2,(H,7,8).
What are the key properties of 2-bromo-2,2-difluoroacetohydrazide?
2-bromo-2,2-difluoroacetohydrazide has a molecular weight of 188.96 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoroacetohydrazide is sourced from PubChem (CID 15528645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).