benzenediazonium;2,2,2-trifluoroacetate

C8H5F3N2O2 — CID 23079059

IUPACbenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccccc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H5N2.C2HF3O2/c7-8-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H;(H,6,7)/q+1;/p-1
InChIKeyIBMASULZCPSKCJ-UHFFFAOYSA-M
MW218.13 g/mol
LogP1.47
Rot. Bonds

About benzenediazonium;2,2,2-trifluoroacetate

benzenediazonium;2,2,2-trifluoroacetate (PubChem CID 23079059) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is benzenediazonium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namebenzenediazonium;2,2,2-trifluoroacetate
PubChem CID23079059
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Namebenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccccc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H5N2.C2HF3O2/c7-8-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H;(H,6,7)/q+1;/p-1
InChIKeyIBMASULZCPSKCJ-UHFFFAOYSA-M
XLogP1.47
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.47
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

p-Aminophenylmercuric acetate
CID 16682983
Aminophenylmercuric acetate
CID 16683704
(E)-4,4,4-trifluoro-3-hydroxy-2-phenyldiazenylbut-2-enoic acid
CID 178312325
Phenylazanium acetate
CID 5743228
4-Bromobenzenediazonium;2,2,2-trifluoroacetate
CID 11066403
Phenyl-ammonium trifluoroacetate
CID 11333230
4-Methylbenzenediazonium;2,2,2-trifluoroacetate
CID 13521309
Azobenzene, 4,4-difluoro-
CID 57348923
4-Chlorobenzenediazonium;2,2,2-trifluoroacetate
CID 134929742
(4-Aminophenyl)mercury(1+) acetate
CID 9906466
phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene
CID 12936272
[(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene
CID 12936273

Frequently Asked Questions

What is the IUPAC name of benzenediazonium;2,2,2-trifluoroacetate?
The IUPAC name of benzenediazonium;2,2,2-trifluoroacetate (CID 23079059) is benzenediazonium;2,2,2-trifluoroacetate.
What is the SMILES notation for benzenediazonium;2,2,2-trifluoroacetate?
The canonical SMILES for benzenediazonium;2,2,2-trifluoroacetate is N#[N+]c1ccccc1.O=C([O-])C(F)(F)F.
What is the InChIKey of benzenediazonium;2,2,2-trifluoroacetate?
The InChIKey is IBMASULZCPSKCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5N2.C2HF3O2/c7-8-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H;(H,6,7)/q+1;/p-1.
What are the key properties of benzenediazonium;2,2,2-trifluoroacetate?
benzenediazonium;2,2,2-trifluoroacetate has a molecular weight of 218.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenediazonium;2,2,2-trifluoroacetate is sourced from PubChem (CID 23079059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).