1-azido-4-bromo-2-(trifluoromethoxy)benzene

C7H3BrF3N3O — CID 150673449

IUPAC1-azido-4-bromo-2-(trifluoromethoxy)benzene
SMILES[N-]=[N+]=Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3N3O/c8-4-1-2-5(13-14-12)6(3-4)15-7(9,10)11/h1-3H
InChIKeyJGIXTDQHZFVIDV-UHFFFAOYSA-N
MW282.02 g/mol
LogP4.29
Rot. Bonds2

About 1-azido-4-bromo-2-(trifluoromethoxy)benzene

1-azido-4-bromo-2-(trifluoromethoxy)benzene (PubChem CID 150673449) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 1-azido-4-bromo-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-azido-4-bromo-2-(trifluoromethoxy)benzene
PubChem CID150673449
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name1-azido-4-bromo-2-(trifluoromethoxy)benzene
SMILES[N-]=[N+]=Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3N3O/c8-4-1-2-5(13-14-12)6(3-4)15-7(9,10)11/h1-3H
InChIKeyJGIXTDQHZFVIDV-UHFFFAOYSA-N
XLogP4.29
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 54.29
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

N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide
CID 103193628
N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
2-azido-1,4-dibromobenzene
CID 139064020
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 90156005
4-bromo-2-(trifluoromethoxy)benzoic acid
CID 16665572
1-azido-4-bromo-2-phenylbenzene
CID 102165118
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 103193574
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-bromo-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-azido-4-bromo-2-(trifluoromethoxy)benzene (CID 150673449) is 1-azido-4-bromo-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-azido-4-bromo-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-azido-4-bromo-2-(trifluoromethoxy)benzene is [N-]=[N+]=Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 1-azido-4-bromo-2-(trifluoromethoxy)benzene?
The InChIKey is JGIXTDQHZFVIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-4-1-2-5(13-14-12)6(3-4)15-7(9,10)11/h1-3H.
What are the key properties of 1-azido-4-bromo-2-(trifluoromethoxy)benzene?
1-azido-4-bromo-2-(trifluoromethoxy)benzene has a molecular weight of 282.02 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-bromo-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 150673449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).