4-bromo-2-(fluoromethyl)benzohydrazide

C8H8BrFN2O — CID 145171796

IUPAC4-bromo-2-(fluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(Br)cc1CF
InChIInChI=1S/C8H8BrFN2O/c9-6-1-2-7(8(13)12-11)5(3-6)4-10/h1-3H,4,11H2,(H,12,13)
InChIKeyZEEUSCINZSUNDX-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.52
Rot. Bonds2

About 4-bromo-2-(fluoromethyl)benzohydrazide

4-bromo-2-(fluoromethyl)benzohydrazide (PubChem CID 145171796) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 4-bromo-2-(fluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-2-(fluoromethyl)benzohydrazide
PubChem CID145171796
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name4-bromo-2-(fluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(Br)cc1CF
InChIInChI=1S/C8H8BrFN2O/c9-6-1-2-7(8(13)12-11)5(3-6)4-10/h1-3H,4,11H2,(H,12,13)
InChIKeyZEEUSCINZSUNDX-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-bromo-2-(fluoromethyl)benzohydrazide?
The IUPAC name of 4-bromo-2-(fluoromethyl)benzohydrazide (CID 145171796) is 4-bromo-2-(fluoromethyl)benzohydrazide.
What is the SMILES notation for 4-bromo-2-(fluoromethyl)benzohydrazide?
The canonical SMILES for 4-bromo-2-(fluoromethyl)benzohydrazide is NNC(=O)c1ccc(Br)cc1CF.
What is the InChIKey of 4-bromo-2-(fluoromethyl)benzohydrazide?
The InChIKey is ZEEUSCINZSUNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c9-6-1-2-7(8(13)12-11)5(3-6)4-10/h1-3H,4,11H2,(H,12,13).
What are the key properties of 4-bromo-2-(fluoromethyl)benzohydrazide?
4-bromo-2-(fluoromethyl)benzohydrazide has a molecular weight of 247.07 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(fluoromethyl)benzohydrazide is sourced from PubChem (CID 145171796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).