1-(diazomethyl)-4-fluorobenzene

C7H5FN2 — CID 12584588

IUPAC1-(diazomethyl)-4-fluorobenzene
SMILES[N-]=[N+]=Cc1ccc(F)cc1
InChIInChI=1S/C7H5FN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H
InChIKeyBSEUQWUFTGWQPK-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.47
Rot. Bonds1

About 1-(diazomethyl)-4-fluorobenzene

1-(diazomethyl)-4-fluorobenzene (PubChem CID 12584588) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 1-(diazomethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(diazomethyl)-4-fluorobenzene
PubChem CID12584588
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name1-(diazomethyl)-4-fluorobenzene
SMILES[N-]=[N+]=Cc1ccc(F)cc1
InChIInChI=1S/C7H5FN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H
InChIKeyBSEUQWUFTGWQPK-UHFFFAOYSA-N
XLogP1.47
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diazomethyl)-4-fluorobenzene?
The IUPAC name of 1-(diazomethyl)-4-fluorobenzene (CID 12584588) is 1-(diazomethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(diazomethyl)-4-fluorobenzene?
The canonical SMILES for 1-(diazomethyl)-4-fluorobenzene is [N-]=[N+]=Cc1ccc(F)cc1.
What is the InChIKey of 1-(diazomethyl)-4-fluorobenzene?
The InChIKey is BSEUQWUFTGWQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H.
What are the key properties of 1-(diazomethyl)-4-fluorobenzene?
1-(diazomethyl)-4-fluorobenzene has a molecular weight of 136.13 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)-4-fluorobenzene is sourced from PubChem (CID 12584588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).