1-azido-2,4-difluorobenzene

C6H3F2N3 — CID 43154601

IUPAC1-azido-2,4-difluorobenzene
SMILES[N-]=[N+]=Nc1ccc(F)cc1F
InChIInChI=1S/C6H3F2N3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H
InChIKeyYMCOFIHJJULAOJ-UHFFFAOYSA-N
MW155.11 g/mol
LogP2.91
Rot. Bonds1

About 1-azido-2,4-difluorobenzene

1-azido-2,4-difluorobenzene (PubChem CID 43154601) has the molecular formula C6H3F2N3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 1-azido-2,4-difluorobenzene.

Molecular Properties

Compound Name1-azido-2,4-difluorobenzene
PubChem CID43154601
Molecular FormulaC6H3F2N3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name1-azido-2,4-difluorobenzene
SMILES[N-]=[N+]=Nc1ccc(F)cc1F
InChIInChI=1S/C6H3F2N3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H
InChIKeyYMCOFIHJJULAOJ-UHFFFAOYSA-N
XLogP2.91
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 52.91
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-2,4-difluorobenzene?
The IUPAC name of 1-azido-2,4-difluorobenzene (CID 43154601) is 1-azido-2,4-difluorobenzene.
What is the SMILES notation for 1-azido-2,4-difluorobenzene?
The canonical SMILES for 1-azido-2,4-difluorobenzene is [N-]=[N+]=Nc1ccc(F)cc1F.
What is the InChIKey of 1-azido-2,4-difluorobenzene?
The InChIKey is YMCOFIHJJULAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2N3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H.
What are the key properties of 1-azido-2,4-difluorobenzene?
1-azido-2,4-difluorobenzene has a molecular weight of 155.11 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,4-difluorobenzene is sourced from PubChem (CID 43154601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).