2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine

C8H10FN5 — CID 166885958

IUPAC2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine
SMILES[N-]=[N+]=NCCNc1cc(F)ccc1N
InChIInChI=1S/C8H10FN5/c9-6-1-2-7(10)8(5-6)12-3-4-13-14-11/h1-2,5,12H,3-4,10H2
InChIKeyYOIVTIBCSIOEQH-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.13
Rot. Bonds4

About 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine

2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine (PubChem CID 166885958) has the molecular formula C8H10FN5 and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine
PubChem CID166885958
Molecular FormulaC8H10FN5
Molecular Weight195.20 g/mol
Exact Mass195.09
IUPAC Name2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine
SMILES[N-]=[N+]=NCCNc1cc(F)ccc1N
InChIInChI=1S/C8H10FN5/c9-6-1-2-7(10)8(5-6)12-3-4-13-14-11/h1-2,5,12H,3-4,10H2
InChIKeyYOIVTIBCSIOEQH-UHFFFAOYSA-N
XLogP2.13
TPSA86.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine 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 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine (CID 166885958) is 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine is [N-]=[N+]=NCCNc1cc(F)ccc1N.
What is the InChIKey of 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is YOIVTIBCSIOEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5/c9-6-1-2-7(10)8(5-6)12-3-4-13-14-11/h1-2,5,12H,3-4,10H2.
What are the key properties of 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine?
2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 195.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 166885958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).