4-((18F)fluoromethyl)(18F)benzohydrazide

C8H9FN2O — CID 10080752

IUPAC4-((18F)fluoromethyl)(18F)benzohydrazide
SMILESNNC(=O)c1ccc(C[18F])cc1
InChIInChI=1S/C8H9FN2O/c9-5-6-1-3-7(4-2-6)8(12)11-10/h1-4H,5,10H2,(H,11,12)/i9-1
InChIKeyDMMIKPQPXRJHEN-RVRFMXCPSA-N
MW167.17 g/mol
LogP0.76
Rot. Bonds2

About 4-((18F)fluoromethyl)(18F)benzohydrazide

4-((18F)fluoromethyl)(18F)benzohydrazide (PubChem CID 10080752) has the molecular formula C8H9FN2O and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-((18F)fluoromethyl)(18F)benzohydrazide.

Molecular Properties

Compound Name4-((18F)fluoromethyl)(18F)benzohydrazide
PubChem CID10080752
Molecular FormulaC8H9FN2O
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-((18F)fluoromethyl)(18F)benzohydrazide
SMILESNNC(=O)c1ccc(C[18F])cc1
InChIInChI=1S/C8H9FN2O/c9-5-6-1-3-7(4-2-6)8(12)11-10/h1-4H,5,10H2,(H,11,12)/i9-1
InChIKeyDMMIKPQPXRJHEN-RVRFMXCPSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.76
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-((18F)fluoromethyl)(18F)benzohydrazide?
The IUPAC name of 4-((18F)fluoromethyl)(18F)benzohydrazide (CID 10080752) is 4-((18F)fluoromethyl)(18F)benzohydrazide.
What is the SMILES notation for 4-((18F)fluoromethyl)(18F)benzohydrazide?
The canonical SMILES for 4-((18F)fluoromethyl)(18F)benzohydrazide is NNC(=O)c1ccc(C[18F])cc1.
What is the InChIKey of 4-((18F)fluoromethyl)(18F)benzohydrazide?
The InChIKey is DMMIKPQPXRJHEN-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-5-6-1-3-7(4-2-6)8(12)11-10/h1-4H,5,10H2,(H,11,12)/i9-1.
What are the key properties of 4-((18F)fluoromethyl)(18F)benzohydrazide?
4-((18F)fluoromethyl)(18F)benzohydrazide has a molecular weight of 167.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-((18F)fluoromethyl)(18F)benzohydrazide is sourced from PubChem (CID 10080752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).