(4-fluoro-2-methanehydrazonoylphenyl)boronic acid

C7H8BFN2O2 — CID 168529073

IUPAC(4-fluoro-2-methanehydrazonoylphenyl)boronic acid
SMILESNN=Cc1cc(F)ccc1B(O)O
InChIInChI=1S/C7H8BFN2O2/c9-6-1-2-7(8(12)13)5(3-6)4-11-10/h1-4,12-13H,10H2
InChIKeyMKLOKEHHSDZCTJ-UHFFFAOYSA-N
MW181.96 g/mol
LogP-1.20
Rot. Bonds2

About (4-fluoro-2-methanehydrazonoylphenyl)boronic acid

(4-fluoro-2-methanehydrazonoylphenyl)boronic acid (PubChem CID 168529073) has the molecular formula C7H8BFN2O2 and a molecular weight of 181.96 g/mol. Its IUPAC name is (4-fluoro-2-methanehydrazonoylphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-2-methanehydrazonoylphenyl)boronic acid
PubChem CID168529073
Molecular FormulaC7H8BFN2O2
Molecular Weight181.96 g/mol
Exact Mass182.07
IUPAC Name(4-fluoro-2-methanehydrazonoylphenyl)boronic acid
SMILESNN=Cc1cc(F)ccc1B(O)O
InChIInChI=1S/C7H8BFN2O2/c9-6-1-2-7(8(12)13)5(3-6)4-11-10/h1-4,12-13H,10H2
InChIKeyMKLOKEHHSDZCTJ-UHFFFAOYSA-N
XLogP-1.20
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.96
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-fluoro-2-methanehydrazonoylphenyl)boronic acid?
The IUPAC name of (4-fluoro-2-methanehydrazonoylphenyl)boronic acid (CID 168529073) is (4-fluoro-2-methanehydrazonoylphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-2-methanehydrazonoylphenyl)boronic acid?
The canonical SMILES for (4-fluoro-2-methanehydrazonoylphenyl)boronic acid is NN=Cc1cc(F)ccc1B(O)O.
What is the InChIKey of (4-fluoro-2-methanehydrazonoylphenyl)boronic acid?
The InChIKey is MKLOKEHHSDZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFN2O2/c9-6-1-2-7(8(12)13)5(3-6)4-11-10/h1-4,12-13H,10H2.
What are the key properties of (4-fluoro-2-methanehydrazonoylphenyl)boronic acid?
(4-fluoro-2-methanehydrazonoylphenyl)boronic acid has a molecular weight of 181.96 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methanehydrazonoylphenyl)boronic acid is sourced from PubChem (CID 168529073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).