2,2,2-trichloroacetamide

C2H2Cl3NO — CID 71309866

IUPAC2,2,2-trichloroacetamide
SMILES[15NH2]C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)/i6+1
InChIKeyUPQQXPKAYZYUKO-PTQBSOBMSA-N
MW163.40 g/mol
LogP0.84
Rot. Bonds

About 2,2,2-trichloroacetamide

2,2,2-trichloroacetamide (PubChem CID 71309866) has the molecular formula C2H2Cl3NO and a molecular weight of 163.40 g/mol. Its IUPAC name is 2,2,2-trichloroacetamide.

Molecular Properties

Compound Name2,2,2-trichloroacetamide
PubChem CID71309866
Molecular FormulaC2H2Cl3NO
Molecular Weight163.40 g/mol
Exact Mass161.92
IUPAC Name2,2,2-trichloroacetamide
SMILES[15NH2]C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)/i6+1
InChIKeyUPQQXPKAYZYUKO-PTQBSOBMSA-N
XLogP0.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide
CID 138558233
2,2-dibromo-2-chloroacetamide
CID 57485950
2-chloro-2-methylpropanamide;hydrochloride
CID 141117317
2,3-dihydrofuran;2,2,2-trichloroacetamide
CID 158879492
(2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite
CID 88848296
3-chloro-2,2,3,3-tetrafluoropropanamide
CID 4611966
methanetetracarboxamide
CID 87547104
azane;2,2,2-trichloroacetyl chloride
CID 174960688
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
CID 143623882
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
2,2-dichloropent-3-enamide
CID 154087722
diamino(113C)methanone
CID 636363

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroacetamide?
The IUPAC name of 2,2,2-trichloroacetamide (CID 71309866) is 2,2,2-trichloroacetamide.
What is the SMILES notation for 2,2,2-trichloroacetamide?
The canonical SMILES for 2,2,2-trichloroacetamide is [15NH2]C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloroacetamide?
The InChIKey is UPQQXPKAYZYUKO-PTQBSOBMSA-N. The full InChI is InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)/i6+1.
What are the key properties of 2,2,2-trichloroacetamide?
2,2,2-trichloroacetamide has a molecular weight of 163.40 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroacetamide is sourced from PubChem (CID 71309866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).