2-azido-1,3-difluoro-4-methoxybenzene

C7H5F2N3O — CID 150325663

IUPAC2-azido-1,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(N=[N+]=[N-])c1F
InChIInChI=1S/C7H5F2N3O/c1-13-5-3-2-4(8)7(6(5)9)11-12-10/h2-3H,1H3
InChIKeyGOOXTLLXIARZCC-UHFFFAOYSA-N
MW185.13 g/mol
LogP2.92
Rot. Bonds2

About 2-azido-1,3-difluoro-4-methoxybenzene

2-azido-1,3-difluoro-4-methoxybenzene (PubChem CID 150325663) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 2-azido-1,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name2-azido-1,3-difluoro-4-methoxybenzene
PubChem CID150325663
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name2-azido-1,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(N=[N+]=[N-])c1F
InChIInChI=1S/C7H5F2N3O/c1-13-5-3-2-4(8)7(6(5)9)11-12-10/h2-3H,1H3
InChIKeyGOOXTLLXIARZCC-UHFFFAOYSA-N
XLogP2.92
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

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CID 151860144
N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide
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2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
CID 169326636
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-azido-4-methoxynaphthalene
CID 20536800
2,6-difluoro-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 59591431
CID 88999246
CID 88999246
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
4-azido-2-fluoro-1-(methoxymethoxy)benzene
CID 150921168

Frequently Asked Questions

What is the IUPAC name of 2-azido-1,3-difluoro-4-methoxybenzene?
The IUPAC name of 2-azido-1,3-difluoro-4-methoxybenzene (CID 150325663) is 2-azido-1,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 2-azido-1,3-difluoro-4-methoxybenzene?
The canonical SMILES for 2-azido-1,3-difluoro-4-methoxybenzene is COc1ccc(F)c(N=[N+]=[N-])c1F.
What is the InChIKey of 2-azido-1,3-difluoro-4-methoxybenzene?
The InChIKey is GOOXTLLXIARZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c1-13-5-3-2-4(8)7(6(5)9)11-12-10/h2-3H,1H3.
What are the key properties of 2-azido-1,3-difluoro-4-methoxybenzene?
2-azido-1,3-difluoro-4-methoxybenzene has a molecular weight of 185.13 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 150325663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).