2-azido-1,5-dibromo-3-(difluoromethoxy)benzene

C7H3Br2F2N3O — CID 152615033

IUPAC2-azido-1,5-dibromo-3-(difluoromethoxy)benzene
SMILES[N-]=[N+]=Nc1c(Br)cc(Br)cc1OC(F)F
InChIInChI=1S/C7H3Br2F2N3O/c8-3-1-4(9)6(13-14-12)5(2-3)15-7(10)11/h1-2,7H
InChIKeyZAICEGKOFDUKDP-UHFFFAOYSA-N
MW342.93 g/mol
LogP4.75
Rot. Bonds3

About 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene

2-azido-1,5-dibromo-3-(difluoromethoxy)benzene (PubChem CID 152615033) has the molecular formula C7H3Br2F2N3O and a molecular weight of 342.93 g/mol. Its IUPAC name is 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene.

Molecular Properties

Compound Name2-azido-1,5-dibromo-3-(difluoromethoxy)benzene
PubChem CID152615033
Molecular FormulaC7H3Br2F2N3O
Molecular Weight342.93 g/mol
Exact Mass340.86
IUPAC Name2-azido-1,5-dibromo-3-(difluoromethoxy)benzene
SMILES[N-]=[N+]=Nc1c(Br)cc(Br)cc1OC(F)F
InChIInChI=1S/C7H3Br2F2N3O/c8-3-1-4(9)6(13-14-12)5(2-3)15-7(10)11/h1-2,7H
InChIKeyZAICEGKOFDUKDP-UHFFFAOYSA-N
XLogP4.75
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.93
LogP ≤ 54.75
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

1,2,5-tribromo-3-(difluoromethoxy)benzene
CID 118826351
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
CID 119008038
2-azido-5-bromo-1,3-dichlorobenzene
CID 43154615
2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995669
(E)-3-[2,4-dibromo-6-(difluoromethoxy)phenyl]prop-2-enoic acid
CID 119009070
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
4-bromo-2-(difluoromethoxy)-6-methylbenzoic acid
CID 131547586
4-azido-1,3-dibromo-2-chloro-5-methoxybenzene
CID 150421418
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 76872439
N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371215

Frequently Asked Questions

What is the IUPAC name of 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene?
The IUPAC name of 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene (CID 152615033) is 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene.
What is the SMILES notation for 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene?
The canonical SMILES for 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene is [N-]=[N+]=Nc1c(Br)cc(Br)cc1OC(F)F.
What is the InChIKey of 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene?
The InChIKey is ZAICEGKOFDUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F2N3O/c8-3-1-4(9)6(13-14-12)5(2-3)15-7(10)11/h1-2,7H.
What are the key properties of 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene?
2-azido-1,5-dibromo-3-(difluoromethoxy)benzene has a molecular weight of 342.93 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,5-dibromo-3-(difluoromethoxy)benzene is sourced from PubChem (CID 152615033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).