4-chlorobenzenediazonium;2,2,2-trifluoroacetate

C8H4ClF3N2O2 — CID 134929742

IUPAC4-chlorobenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccc(Cl)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H4ClN2.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
InChIKeyVGFYFBGMUOMVGF-UHFFFAOYSA-M
MW252.58 g/mol
LogP2.12
Rot. Bonds

About 4-chlorobenzenediazonium;2,2,2-trifluoroacetate

4-chlorobenzenediazonium;2,2,2-trifluoroacetate (PubChem CID 134929742) has the molecular formula C8H4ClF3N2O2 and a molecular weight of 252.58 g/mol. Its IUPAC name is 4-chlorobenzenediazonium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name4-chlorobenzenediazonium;2,2,2-trifluoroacetate
PubChem CID134929742
Molecular FormulaC8H4ClF3N2O2
Molecular Weight252.58 g/mol
Exact Mass251.99
IUPAC Name4-chlorobenzenediazonium;2,2,2-trifluoroacetate
SMILESN#[N+]c1ccc(Cl)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H4ClN2.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
InChIKeyVGFYFBGMUOMVGF-UHFFFAOYSA-M
XLogP2.12
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.58
LogP ≤ 52.12
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

4-Chlorobenzenediazonium perfluorobutanoate perfluorobutanoic acid (1:1:1)
CID 131856498
2-(4-Chlorophenyl)guanidine;2,2,2-trifluoroacetic acid
CID 162662943
Phenyldiazonium trifluoroacetate
CID 23079059
4-Fluorobenzenediazonium;2,2,2-trifluoroacetate
CID 177854892
3-Fluorobenzenediazonium;2,2,2-trifluoroacetate
CID 177854895
4-Chlorobenzenediazonium;trifluoromethanesulfonate
CID 20438069
3-[(4-Chlorophenyl)diazenyl]-1,1,1-trifluoropropan-2-one
CID 53701953
2-[(4-Chloro-2-fluorophenyl)diazenyl]propanoic acid
CID 57134949
3,4-Dichloroaniline;2,2,2-trifluoroacetic acid
CID 69030073
(2,4,6-Trichlorophenyl)azanium;2,2,2-trifluoroacetate
CID 71673342
N,2-dichloroaniline;2,2,2-trifluoroacetic acid
CID 88141950
2-Chloro-6-fluoroaniline;2,2,2-trifluoroacetic acid
CID 90041296

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzenediazonium;2,2,2-trifluoroacetate?
The IUPAC name of 4-chlorobenzenediazonium;2,2,2-trifluoroacetate (CID 134929742) is 4-chlorobenzenediazonium;2,2,2-trifluoroacetate.
What is the SMILES notation for 4-chlorobenzenediazonium;2,2,2-trifluoroacetate?
The canonical SMILES for 4-chlorobenzenediazonium;2,2,2-trifluoroacetate is N#[N+]c1ccc(Cl)cc1.O=C([O-])C(F)(F)F.
What is the InChIKey of 4-chlorobenzenediazonium;2,2,2-trifluoroacetate?
The InChIKey is VGFYFBGMUOMVGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4ClN2.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-chlorobenzenediazonium;2,2,2-trifluoroacetate?
4-chlorobenzenediazonium;2,2,2-trifluoroacetate has a molecular weight of 252.58 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzenediazonium;2,2,2-trifluoroacetate is sourced from PubChem (CID 134929742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).