4-(2-azidoethoxy)-1-chloro-2-fluorobenzene

C8H7ClFN3O — CID 82716995

IUPAC4-(2-azidoethoxy)-1-chloro-2-fluorobenzene
SMILES[N-]=[N+]=NCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFN3O/c9-7-2-1-6(5-8(7)10)14-4-3-12-13-11/h1-2,5H,3-4H2
InChIKeyIVEPSMZWOHBWJA-UHFFFAOYSA-N
MW215.62 g/mol
LogP3.17
Rot. Bonds4

About 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene

4-(2-azidoethoxy)-1-chloro-2-fluorobenzene (PubChem CID 82716995) has the molecular formula C8H7ClFN3O and a molecular weight of 215.62 g/mol. Its IUPAC name is 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-(2-azidoethoxy)-1-chloro-2-fluorobenzene
PubChem CID82716995
Molecular FormulaC8H7ClFN3O
Molecular Weight215.62 g/mol
Exact Mass215.03
IUPAC Name4-(2-azidoethoxy)-1-chloro-2-fluorobenzene
SMILES[N-]=[N+]=NCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFN3O/c9-7-2-1-6(5-8(7)10)14-4-3-12-13-11/h1-2,5H,3-4H2
InChIKeyIVEPSMZWOHBWJA-UHFFFAOYSA-N
XLogP3.17
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-azidoethoxy)-1,2-dichlorobenzene
CID 61397043
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
1-chloro-4-(2-ethylsulfanylethoxy)-2-fluorobenzene
CID 115899258
1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
CID 82727729
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
CID 155717110
4-[2-(4-chloro-3-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 82718053
1-chloro-2-fluoro-4-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106706442
4-(2-azidoethoxy)pyridin-2-amine
CID 169237712
N-[2-(4-chloro-3-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 82727082

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene?
The IUPAC name of 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene (CID 82716995) is 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene is [N-]=[N+]=NCCOc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene?
The InChIKey is IVEPSMZWOHBWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3O/c9-7-2-1-6(5-8(7)10)14-4-3-12-13-11/h1-2,5H,3-4H2.
What are the key properties of 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene?
4-(2-azidoethoxy)-1-chloro-2-fluorobenzene has a molecular weight of 215.62 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethoxy)-1-chloro-2-fluorobenzene is sourced from PubChem (CID 82716995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).