(2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate

C8H5Cl3F3NO2 — CID 71673342

IUPAC(2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3N.C2HF3O2/c7-3-1-4(8)6(10)5(9)2-3;3-2(4,5)1(6)7/h1-2H,10H2;(H,6,7)
InChIKeyAZIMKQAEMCLBSS-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.82
Rot. Bonds

About (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate

(2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate (PubChem CID 71673342) has the molecular formula C8H5Cl3F3NO2 and a molecular weight of 310.49 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate
PubChem CID71673342
Molecular FormulaC8H5Cl3F3NO2
Molecular Weight310.49 g/mol
Exact Mass308.93
IUPAC Name(2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3N.C2HF3O2/c7-3-1-4(8)6(10)5(9)2-3;3-2(4,5)1(6)7/h1-2H,10H2;(H,6,7)
InChIKeyAZIMKQAEMCLBSS-UHFFFAOYSA-N
XLogP1.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-6-fluoroaniline
CID 20434559
4-Chlorobenzenediazonium;2,2,2-trifluoroacetate
CID 134929742
2,3-Dichloroaniline trifluoroacetate
CID 86645662
N,2-dichloroaniline;2,2,2-trifluoroacetic acid
CID 88141950
2-Chloro-6-fluoroaniline;2,2,2-trifluoroacetic acid
CID 90041296
(2,4,6-Trichlorophenyl)azanium;trifluoromethanesulfonate
CID 140168851
(2,3-Dichlorophenyl)azanium;2,2,2-trifluoroacetate
CID 142237760
Benzenamine, 3,5-dichloro-, trifluoroacetate
CID 71373431
(3,4-Dichlorophenyl)azanium;2,2,2-trifluoroacetate
CID 134105162
2-Chloro-3-fluoroaniline 2,2,2-trifluoroacetate
CID 163196640
2,4,6-Trichloroaniline;2,2,2-trifluoroacetic acid
CID 171927872
2-[(2,4,6-Trichlorophenyl)diazenyl]acetic acid
CID 21455789

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate?
The IUPAC name of (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate (CID 71673342) is (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate?
The canonical SMILES for (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate?
The InChIKey is AZIMKQAEMCLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3N.C2HF3O2/c7-3-1-4(8)6(10)5(9)2-3;3-2(4,5)1(6)7/h1-2H,10H2;(H,6,7).
What are the key properties of (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate?
(2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate has a molecular weight of 310.49 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl)azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 71673342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).