(3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate

C8H6Cl2F3NO2 — CID 134105162

IUPAC(3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H5Cl2N.C2HF3O2/c7-5-2-1-4(9)3-6(5)8;3-2(4,5)1(6)7/h1-3H,9H2;(H,6,7)
InChIKeyZBPAOTFGMHISQY-UHFFFAOYSA-N
MW276.04 g/mol
LogP1.17
Rot. Bonds

About (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate

(3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate (PubChem CID 134105162) has the molecular formula C8H6Cl2F3NO2 and a molecular weight of 276.04 g/mol. Its IUPAC name is (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate
PubChem CID134105162
Molecular FormulaC8H6Cl2F3NO2
Molecular Weight276.04 g/mol
Exact Mass274.97
IUPAC Name(3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H5Cl2N.C2HF3O2/c7-5-2-1-4(9)3-6(5)8;3-2(4,5)1(6)7/h1-3H,9H2;(H,6,7)
InChIKeyZBPAOTFGMHISQY-UHFFFAOYSA-N
XLogP1.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dichloroaniline
CID 7257
3,4-Dichloro-2-fluoroaniline
CID 2782703
3,4-Dichloroaniline hydrochloride
CID 12999060
Acetamide, N-(3,4-dichlorophenyl)-2,2,2-trifluor
CID 706871
Acetamide, N-(3,4-dichlorophenyl)-2,2-difluoro
CID 23273950
4-Chlorobenzenediazonium;2,2,2-trifluoroacetate
CID 134929742
2,2,2-Trifluoroethyl (3,4-dichlorophenyl)carbamate
CID 795110
3,4-Dichloro-5-fluoroaniline hydrochloride
CID 170911914
3,4-Dichloroaniline;2,2,2-trifluoroacetic acid
CID 69030073
3,4-dichloro-N-ethylaniline;2,2,2-trifluoroacetic acid
CID 69811419
3,4-Dichloroaniline-d2
CID 71315958
(2,4,6-Trichlorophenyl)azanium;2,2,2-trifluoroacetate
CID 71673342

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
The IUPAC name of (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate (CID 134105162) is (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
The canonical SMILES for (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
The InChIKey is ZBPAOTFGMHISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.C2HF3O2/c7-5-2-1-4(9)3-6(5)8;3-2(4,5)1(6)7/h1-3H,9H2;(H,6,7).
What are the key properties of (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate?
(3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate has a molecular weight of 276.04 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 134105162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).