2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate

C6H5Cl6NO3 — CID 2726052

IUPAC2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate
SMILESO=C(NCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C6H5Cl6NO3/c7-5(8,9)3(14)13-1-2-16-4(15)6(10,11)12/h1-2H2,(H,13,14)
InChIKeyZZGYPDWKWDPEDB-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.39
Rot. Bonds3

About 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate

2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate (PubChem CID 2726052) has the molecular formula C6H5Cl6NO3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate.

Molecular Properties

Compound Name2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate
PubChem CID2726052
Molecular FormulaC6H5Cl6NO3
Molecular Weight351.83 g/mol
Exact Mass348.84
IUPAC Name2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate
SMILESO=C(NCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C6H5Cl6NO3/c7-5(8,9)3(14)13-1-2-16-4(15)6(10,11)12/h1-2H2,(H,13,14)
InChIKeyZZGYPDWKWDPEDB-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
2,2,2-trichloro-N-[2-[2-[(2,2,2-trichloroacetyl)amino]ethylsulfanyl]ethyl]acetamide
CID 23579838
2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
CID 87995485
6-chlorohexyl 2,2,2-trichloroacetate
CID 13030378
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292
2,2,2-trichloro-N-dodecylacetamide
CID 4986291
2-[(2-amino-2-methylbutanoyl)amino]ethyl carbamate
CID 83211882
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
carbamothioylazanium;2-hydroxyethyl 2,2,2-trichloroacetate
CID 135703173
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
2-[[2-methyl-2-[[2-methyl-1-oxo-1-[2-(2-sulfanylacetyl)oxyethylamino]propan-2-yl]diazenyl]propanoyl]amino]ethyl 2-sulfanylacetate
CID 21397037

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate?
The IUPAC name of 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate (CID 2726052) is 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate.
What is the SMILES notation for 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate?
The canonical SMILES for 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate is O=C(NCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate?
The InChIKey is ZZGYPDWKWDPEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl6NO3/c7-5(8,9)3(14)13-1-2-16-4(15)6(10,11)12/h1-2H2,(H,13,14).
What are the key properties of 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate?
2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate has a molecular weight of 351.83 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate is sourced from PubChem (CID 2726052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).