2-(azidomethyl)-1,3-difluorobenzene

C7H5F2N3 — CID 10888323

IUPAC2-(azidomethyl)-1,3-difluorobenzene
SMILES[N-]=[N+]=NCc1c(F)cccc1F
InChIInChI=1S/C7H5F2N3/c8-6-2-1-3-7(9)5(6)4-11-12-10/h1-3H,4H2
InChIKeyJSZUBPHMRHROHZ-UHFFFAOYSA-N
MW169.13 g/mol
LogP2.78
Rot. Bonds2

About 2-(azidomethyl)-1,3-difluorobenzene

2-(azidomethyl)-1,3-difluorobenzene (PubChem CID 10888323) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 2-(azidomethyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(azidomethyl)-1,3-difluorobenzene
PubChem CID10888323
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name2-(azidomethyl)-1,3-difluorobenzene
SMILES[N-]=[N+]=NCc1c(F)cccc1F
InChIInChI=1S/C7H5F2N3/c8-6-2-1-3-7(9)5(6)4-11-12-10/h1-3H,4H2
InChIKeyJSZUBPHMRHROHZ-UHFFFAOYSA-N
XLogP2.78
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 52.78
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 2-(azidomethyl)-1,3-difluorobenzene?
The IUPAC name of 2-(azidomethyl)-1,3-difluorobenzene (CID 10888323) is 2-(azidomethyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(azidomethyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(azidomethyl)-1,3-difluorobenzene is [N-]=[N+]=NCc1c(F)cccc1F.
What is the InChIKey of 2-(azidomethyl)-1,3-difluorobenzene?
The InChIKey is JSZUBPHMRHROHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c8-6-2-1-3-7(9)5(6)4-11-12-10/h1-3H,4H2.
What are the key properties of 2-(azidomethyl)-1,3-difluorobenzene?
2-(azidomethyl)-1,3-difluorobenzene has a molecular weight of 169.13 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1,3-difluorobenzene is sourced from PubChem (CID 10888323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).