4-azido-2-fluoro-1-(methoxymethoxy)benzene

C8H8FN3O2 — CID 150921168

IUPAC4-azido-2-fluoro-1-(methoxymethoxy)benzene
SMILESCOCOc1ccc(N=[N+]=[N-])cc1F
InChIInChI=1S/C8H8FN3O2/c1-13-5-14-8-3-2-6(11-12-10)4-7(8)9/h2-4H,5H2,1H3
InChIKeyLEBDWEXNPMFVCM-UHFFFAOYSA-N
MW197.17 g/mol
LogP2.75
Rot. Bonds4

About 4-azido-2-fluoro-1-(methoxymethoxy)benzene

4-azido-2-fluoro-1-(methoxymethoxy)benzene (PubChem CID 150921168) has the molecular formula C8H8FN3O2 and a molecular weight of 197.17 g/mol. Its IUPAC name is 4-azido-2-fluoro-1-(methoxymethoxy)benzene.

Molecular Properties

Compound Name4-azido-2-fluoro-1-(methoxymethoxy)benzene
PubChem CID150921168
Molecular FormulaC8H8FN3O2
Molecular Weight197.17 g/mol
Exact Mass197.06
IUPAC Name4-azido-2-fluoro-1-(methoxymethoxy)benzene
SMILESCOCOc1ccc(N=[N+]=[N-])cc1F
InChIInChI=1S/C8H8FN3O2/c1-13-5-14-8-3-2-6(11-12-10)4-7(8)9/h2-4H,5H2,1H3
InChIKeyLEBDWEXNPMFVCM-UHFFFAOYSA-N
XLogP2.75
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-2-fluoro-1-(methoxymethoxy)benzene?
The IUPAC name of 4-azido-2-fluoro-1-(methoxymethoxy)benzene (CID 150921168) is 4-azido-2-fluoro-1-(methoxymethoxy)benzene.
What is the SMILES notation for 4-azido-2-fluoro-1-(methoxymethoxy)benzene?
The canonical SMILES for 4-azido-2-fluoro-1-(methoxymethoxy)benzene is COCOc1ccc(N=[N+]=[N-])cc1F.
What is the InChIKey of 4-azido-2-fluoro-1-(methoxymethoxy)benzene?
The InChIKey is LEBDWEXNPMFVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O2/c1-13-5-14-8-3-2-6(11-12-10)4-7(8)9/h2-4H,5H2,1H3.
What are the key properties of 4-azido-2-fluoro-1-(methoxymethoxy)benzene?
4-azido-2-fluoro-1-(methoxymethoxy)benzene has a molecular weight of 197.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-fluoro-1-(methoxymethoxy)benzene is sourced from PubChem (CID 150921168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).