2-azido-1-fluoro-3-(2-methoxyethoxy)benzene

C9H10FN3O2 — CID 151860144

IUPAC2-azido-1-fluoro-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(F)c1N=[N+]=[N-]
InChIInChI=1S/C9H10FN3O2/c1-14-5-6-15-8-4-2-3-7(10)9(8)12-13-11/h2-4H,5-6H2,1H3
InChIKeySKNSDUOYKJRBSR-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.79
Rot. Bonds5

About 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene

2-azido-1-fluoro-3-(2-methoxyethoxy)benzene (PubChem CID 151860144) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-azido-1-fluoro-3-(2-methoxyethoxy)benzene
PubChem CID151860144
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name2-azido-1-fluoro-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(F)c1N=[N+]=[N-]
InChIInChI=1S/C9H10FN3O2/c1-14-5-6-15-8-4-2-3-7(10)9(8)12-13-11/h2-4H,5-6H2,1H3
InChIKeySKNSDUOYKJRBSR-UHFFFAOYSA-N
XLogP2.79
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[(2-azido-3-fluorophenoxy)methyl]-1-methylpiperidine
CID 169325791
methyl N-cyano-N'-[2-fluoro-6-(2-methoxyethoxy)phenyl]carbamimidothioate
CID 169362760
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
2-azido-1,3-difluoro-4-methoxybenzene
CID 150325663
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
methyl N-cyano-N'-[2-fluoro-6-(3-methoxypropoxy)phenyl]carbamimidothioate
CID 169362757
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035368
2-fluoro-6-methoxybenzoyl azide
CID 65433072
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene?
The IUPAC name of 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene (CID 151860144) is 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene is COCCOc1cccc(F)c1N=[N+]=[N-].
What is the InChIKey of 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene?
The InChIKey is SKNSDUOYKJRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c1-14-5-6-15-8-4-2-3-7(10)9(8)12-13-11/h2-4H,5-6H2,1H3.
What are the key properties of 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene?
2-azido-1-fluoro-3-(2-methoxyethoxy)benzene has a molecular weight of 211.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-fluoro-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 151860144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).