3-bromo-2,5,6-trifluorobenzohydrazide

C7H4BrF3N2O — CID 83409669

IUPAC3-bromo-2,5,6-trifluorobenzohydrazide
SMILESNNC(=O)c1c(F)c(F)cc(Br)c1F
InChIInChI=1S/C7H4BrF3N2O/c8-2-1-3(9)6(11)4(5(2)10)7(14)13-12/h1H,12H2,(H,13,14)
InChIKeyGCWAKSGLQNJXIC-UHFFFAOYSA-N
MW269.02 g/mol
LogP1.47
Rot. Bonds1

About 3-bromo-2,5,6-trifluorobenzohydrazide

3-bromo-2,5,6-trifluorobenzohydrazide (PubChem CID 83409669) has the molecular formula C7H4BrF3N2O and a molecular weight of 269.02 g/mol. Its IUPAC name is 3-bromo-2,5,6-trifluorobenzohydrazide.

Molecular Properties

Compound Name3-bromo-2,5,6-trifluorobenzohydrazide
PubChem CID83409669
Molecular FormulaC7H4BrF3N2O
Molecular Weight269.02 g/mol
Exact Mass267.95
IUPAC Name3-bromo-2,5,6-trifluorobenzohydrazide
SMILESNNC(=O)c1c(F)c(F)cc(Br)c1F
InChIInChI=1S/C7H4BrF3N2O/c8-2-1-3(9)6(11)4(5(2)10)7(14)13-12/h1H,12H2,(H,13,14)
InChIKeyGCWAKSGLQNJXIC-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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 3-bromo-2,5,6-trifluorobenzohydrazide?
The IUPAC name of 3-bromo-2,5,6-trifluorobenzohydrazide (CID 83409669) is 3-bromo-2,5,6-trifluorobenzohydrazide.
What is the SMILES notation for 3-bromo-2,5,6-trifluorobenzohydrazide?
The canonical SMILES for 3-bromo-2,5,6-trifluorobenzohydrazide is NNC(=O)c1c(F)c(F)cc(Br)c1F.
What is the InChIKey of 3-bromo-2,5,6-trifluorobenzohydrazide?
The InChIKey is GCWAKSGLQNJXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O/c8-2-1-3(9)6(11)4(5(2)10)7(14)13-12/h1H,12H2,(H,13,14).
What are the key properties of 3-bromo-2,5,6-trifluorobenzohydrazide?
3-bromo-2,5,6-trifluorobenzohydrazide has a molecular weight of 269.02 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5,6-trifluorobenzohydrazide is sourced from PubChem (CID 83409669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).