4-bromobenzenediazonium;2,2,2-trifluoroacetate

C8H4BrF3N2O2 — CID 11066403

IUPAC4-bromobenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccc(Br)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H4BrN2.C2HF3O2/c7-5-1-3-6(9-8)4-2-5;3-2(4,5)1(6)7/h1-4H;(H,6,7)/q+1;/p-1
InChIKeyRTFUSMOHSGIHBX-UHFFFAOYSA-M
MW297.03 g/mol
LogP2.23
Rot. Bonds

About 4-bromobenzenediazonium;2,2,2-trifluoroacetate

4-bromobenzenediazonium;2,2,2-trifluoroacetate (PubChem CID 11066403) has the molecular formula C8H4BrF3N2O2 and a molecular weight of 297.03 g/mol. Its IUPAC name is 4-bromobenzenediazonium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name4-bromobenzenediazonium;2,2,2-trifluoroacetate
PubChem CID11066403
Molecular FormulaC8H4BrF3N2O2
Molecular Weight297.03 g/mol
Exact Mass295.94
IUPAC Name4-bromobenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccc(Br)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H4BrN2.C2HF3O2/c7-5-1-3-6(9-8)4-2-5;3-2(4,5)1(6)7/h1-4H;(H,6,7)/q+1;/p-1
InChIKeyRTFUSMOHSGIHBX-UHFFFAOYSA-M
XLogP2.23
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.03
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate
CID 243545
Phenyldiazonium trifluoroacetate
CID 23079059
4-Fluorobenzenediazonium;2,2,2-trifluoroacetate
CID 177854892
3-Fluorobenzenediazonium;2,2,2-trifluoroacetate
CID 177854895
4-Bromobenzenediazonium fluoride
CID 85765569
[4-bromo-N-(trifluoromethyl)anilino] acetate
CID 56944826
2-[(4-Bromo-2-fluorophenyl)diazenyl]propanoic acid
CID 57242842
(4-Bromophenyl)azanium;2,2,2-trifluoroacetate
CID 71673363
2-[(2-Bromo-5-fluorophenyl)diazenyl]acetic acid
CID 90998029
4-Bromoaniline;ethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 91287227
N-(4-bromophenyl)-N-ethoxynitrous amide;2,2,2-trifluoroacetic acid
CID 176077322
Benzenediazonium, 4-bromo-, acetate
CID 12286823

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzenediazonium;2,2,2-trifluoroacetate?
The IUPAC name of 4-bromobenzenediazonium;2,2,2-trifluoroacetate (CID 11066403) is 4-bromobenzenediazonium;2,2,2-trifluoroacetate.
What is the SMILES notation for 4-bromobenzenediazonium;2,2,2-trifluoroacetate?
The canonical SMILES for 4-bromobenzenediazonium;2,2,2-trifluoroacetate is N#[N+]c1ccc(Br)cc1.O=C([O-])C(F)(F)F.
What is the InChIKey of 4-bromobenzenediazonium;2,2,2-trifluoroacetate?
The InChIKey is RTFUSMOHSGIHBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4BrN2.C2HF3O2/c7-5-1-3-6(9-8)4-2-5;3-2(4,5)1(6)7/h1-4H;(H,6,7)/q+1;/p-1.
What are the key properties of 4-bromobenzenediazonium;2,2,2-trifluoroacetate?
4-bromobenzenediazonium;2,2,2-trifluoroacetate has a molecular weight of 297.03 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzenediazonium;2,2,2-trifluoroacetate is sourced from PubChem (CID 11066403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).