2,2,2-trichloro-N,N-diethylacetamide

C6H10Cl3NO — CID 17071

IUPAC2,2,2-trichloro-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H10Cl3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyOIWFZENWZGPLQZ-UHFFFAOYSA-N
MW218.51 g/mol
LogP2.22
Rot. Bonds2

About 2,2,2-trichloro-N,N-diethylacetamide

2,2,2-trichloro-N,N-diethylacetamide (PubChem CID 17071) has the molecular formula C6H10Cl3NO and a molecular weight of 218.51 g/mol. Its IUPAC name is 2,2,2-trichloro-N,N-diethylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N,N-diethylacetamide
PubChem CID17071
Molecular FormulaC6H10Cl3NO
Molecular Weight218.51 g/mol
Exact Mass216.98
IUPAC Name2,2,2-trichloro-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H10Cl3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyOIWFZENWZGPLQZ-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chloro-N,N-diethylacetamide
CID 16844
Acetamide, N,N-bis(2-chloroethyl)-
CID 98802
2-chloro-N-ethyl-N-methylacetamide
CID 22234698
2,2-Dichloro-N,N-diethylacetamide
CID 70202
N-(2-Chloroethyl)-N-methylacetamide
CID 63391485
Acetamide, 2,2-dichloro-N,N-dipropyl-
CID 96076
Trichloroacetamide, N,N-dibutyl-
CID 533176
2,2-dichloro-N,N-diethyl-2-fluoroacetamide
CID 131856930
2,2,2-trichloro-N,N-dipropylacetamide
CID 4069521
2,2,2-Trichloro-n,n-bis(2-chloroethyl)acetamide
CID 247202
2,2,2-trichloro-N,N-di(propan-2-yl)acetamide
CID 5151197
N-butyl-2,2-dichloro-N-methylacetamide
CID 13324362

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N,N-diethylacetamide?
The IUPAC name of 2,2,2-trichloro-N,N-diethylacetamide (CID 17071) is 2,2,2-trichloro-N,N-diethylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N,N-diethylacetamide?
The canonical SMILES for 2,2,2-trichloro-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N,N-diethylacetamide?
The InChIKey is OIWFZENWZGPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2,2,2-trichloro-N,N-diethylacetamide?
2,2,2-trichloro-N,N-diethylacetamide has a molecular weight of 218.51 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N,N-diethylacetamide is sourced from PubChem (CID 17071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).