2,3-dihydrofuran;2,2,2-trichloroacetamide

C6H8Cl3NO2 — CID 158879492

IUPAC2,3-dihydrofuran;2,2,2-trichloroacetamide
SMILESC1=COCC1.NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H6O.C2H2Cl3NO/c1-2-4-5-3-1;3-2(4,5)1(6)7/h1,3H,2,4H2;(H2,6,7)
InChIKeyJCVXQJRRRHEPIT-UHFFFAOYSA-N
MW232.49 g/mol
LogP1.76
Rot. Bonds

About 2,3-dihydrofuran;2,2,2-trichloroacetamide

2,3-dihydrofuran;2,2,2-trichloroacetamide (PubChem CID 158879492) has the molecular formula C6H8Cl3NO2 and a molecular weight of 232.49 g/mol. Its IUPAC name is 2,3-dihydrofuran;2,2,2-trichloroacetamide.

Molecular Properties

Compound Name2,3-dihydrofuran;2,2,2-trichloroacetamide
PubChem CID158879492
Molecular FormulaC6H8Cl3NO2
Molecular Weight232.49 g/mol
Exact Mass230.96
IUPAC Name2,3-dihydrofuran;2,2,2-trichloroacetamide
SMILESC1=COCC1.NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H6O.C2H2Cl3NO/c1-2-4-5-3-1;3-2(4,5)1(6)7/h1,3H,2,4H2;(H2,6,7)
InChIKeyJCVXQJRRRHEPIT-UHFFFAOYSA-N
XLogP1.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihydrofuran;2,2,2-trichloroacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran;2,2,2-trichloroacetamide?
The IUPAC name of 2,3-dihydrofuran;2,2,2-trichloroacetamide (CID 158879492) is 2,3-dihydrofuran;2,2,2-trichloroacetamide.
What is the SMILES notation for 2,3-dihydrofuran;2,2,2-trichloroacetamide?
The canonical SMILES for 2,3-dihydrofuran;2,2,2-trichloroacetamide is C1=COCC1.NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,3-dihydrofuran;2,2,2-trichloroacetamide?
The InChIKey is JCVXQJRRRHEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C2H2Cl3NO/c1-2-4-5-3-1;3-2(4,5)1(6)7/h1,3H,2,4H2;(H2,6,7).
What are the key properties of 2,3-dihydrofuran;2,2,2-trichloroacetamide?
2,3-dihydrofuran;2,2,2-trichloroacetamide has a molecular weight of 232.49 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran;2,2,2-trichloroacetamide is sourced from PubChem (CID 158879492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).