4-carboxybenzenediazonium;2,2,2-trifluoroacetate

C9H5F3N2O4 — CID 134935050

IUPAC4-carboxybenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccc(C(=O)O)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H4N2O2.C2HF3O2/c8-9-6-3-1-5(2-4-6)7(10)11;3-2(4,5)1(6)7/h1-4H;(H,6,7)
InChIKeyOMDLPKAWDUXDJI-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.17
Rot. Bonds1

About 4-carboxybenzenediazonium;2,2,2-trifluoroacetate

4-carboxybenzenediazonium;2,2,2-trifluoroacetate (PubChem CID 134935050) has the molecular formula C9H5F3N2O4 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-carboxybenzenediazonium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name4-carboxybenzenediazonium;2,2,2-trifluoroacetate
PubChem CID134935050
Molecular FormulaC9H5F3N2O4
Molecular Weight262.14 g/mol
Exact Mass262.02
IUPAC Name4-carboxybenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccc(C(=O)O)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H4N2O2.C2HF3O2/c8-9-6-3-1-5(2-4-6)7(10)11;3-2(4,5)1(6)7/h1-4H;(H,6,7)
InChIKeyOMDLPKAWDUXDJI-UHFFFAOYSA-N
XLogP1.17
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-carboxybenzenediazonium;2,2,2-trifluoroacetate?
The IUPAC name of 4-carboxybenzenediazonium;2,2,2-trifluoroacetate (CID 134935050) is 4-carboxybenzenediazonium;2,2,2-trifluoroacetate.
What is the SMILES notation for 4-carboxybenzenediazonium;2,2,2-trifluoroacetate?
The canonical SMILES for 4-carboxybenzenediazonium;2,2,2-trifluoroacetate is N#[N+]c1ccc(C(=O)O)cc1.O=C([O-])C(F)(F)F.
What is the InChIKey of 4-carboxybenzenediazonium;2,2,2-trifluoroacetate?
The InChIKey is OMDLPKAWDUXDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2.C2HF3O2/c8-9-6-3-1-5(2-4-6)7(10)11;3-2(4,5)1(6)7/h1-4H;(H,6,7).
What are the key properties of 4-carboxybenzenediazonium;2,2,2-trifluoroacetate?
4-carboxybenzenediazonium;2,2,2-trifluoroacetate has a molecular weight of 262.14 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxybenzenediazonium;2,2,2-trifluoroacetate is sourced from PubChem (CID 134935050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).