1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene

C13H8F2N2 — CID 19781460

IUPAC1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILES[N-]=[N+]=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H8F2N2/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8H
InChIKeyIRYDOFYCRJZFSB-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.03
Rot. Bonds2

About 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene

1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene (PubChem CID 19781460) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene
PubChem CID19781460
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILES[N-]=[N+]=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H8F2N2/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8H
InChIKeyIRYDOFYCRJZFSB-UHFFFAOYSA-N
XLogP3.03
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.03
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'}

Analyze 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene (CID 19781460) is 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene is [N-]=[N+]=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene?
The InChIKey is IRYDOFYCRJZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8H.
What are the key properties of 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene?
1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene has a molecular weight of 230.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diazo-(4-fluorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 19781460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).