2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone

C10H10Cl3NO — CID 131615680

IUPAC2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccccc1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NO/c1-14(2)8-6-4-3-5-7(8)9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyLNJYLXGPJUVQOG-UHFFFAOYSA-N
MW266.56 g/mol
LogP3.31
Rot. Bonds2

About 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone

2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone (PubChem CID 131615680) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone
PubChem CID131615680
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccccc1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NO/c1-14(2)8-6-4-3-5-7(8)9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyLNJYLXGPJUVQOG-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone (CID 131615680) is 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone is CN(C)c1ccccc1C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone?
The InChIKey is LNJYLXGPJUVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-14(2)8-6-4-3-5-7(8)9(15)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone?
2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone has a molecular weight of 266.56 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 131615680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).