1-azido-4-(4-fluorophenyl)benzene

C12H8FN3 — CID 101493055

IUPAC1-azido-4-(4-fluorophenyl)benzene
SMILES[N-]=[N+]=Nc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C12H8FN3/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)15-16-14/h1-8H
InChIKeyGSTHNXYWZXOBSE-UHFFFAOYSA-N
MW213.22 g/mol
LogP4.43
Rot. Bonds2

About 1-azido-4-(4-fluorophenyl)benzene

1-azido-4-(4-fluorophenyl)benzene (PubChem CID 101493055) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 1-azido-4-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-azido-4-(4-fluorophenyl)benzene
PubChem CID101493055
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name1-azido-4-(4-fluorophenyl)benzene
SMILES[N-]=[N+]=Nc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C12H8FN3/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)15-16-14/h1-8H
InChIKeyGSTHNXYWZXOBSE-UHFFFAOYSA-N
XLogP4.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-azido-4-(4-fluorophenyl)benzene?
The IUPAC name of 1-azido-4-(4-fluorophenyl)benzene (CID 101493055) is 1-azido-4-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-azido-4-(4-fluorophenyl)benzene?
The canonical SMILES for 1-azido-4-(4-fluorophenyl)benzene is [N-]=[N+]=Nc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-azido-4-(4-fluorophenyl)benzene?
The InChIKey is GSTHNXYWZXOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)15-16-14/h1-8H.
What are the key properties of 1-azido-4-(4-fluorophenyl)benzene?
1-azido-4-(4-fluorophenyl)benzene has a molecular weight of 213.22 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-(4-fluorophenyl)benzene is sourced from PubChem (CID 101493055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).