2,3,4,4-tetrachlorobutanal

C4H4Cl4O — CID 173282499

IUPAC2,3,4,4-tetrachlorobutanal
SMILESO=CC(Cl)C(Cl)C(Cl)Cl
InChIInChI=1S/C4H4Cl4O/c5-2(1-9)3(6)4(7)8/h1-4H
InChIKeyLBOIDLNTJHODOL-UHFFFAOYSA-N
MW209.89 g/mol
LogP2.20
Rot. Bonds3

About 2,3,4,4-tetrachlorobutanal

2,3,4,4-tetrachlorobutanal (PubChem CID 173282499) has the molecular formula C4H4Cl4O and a molecular weight of 209.89 g/mol. Its IUPAC name is 2,3,4,4-tetrachlorobutanal.

Molecular Properties

Compound Name2,3,4,4-tetrachlorobutanal
PubChem CID173282499
Molecular FormulaC4H4Cl4O
Molecular Weight209.89 g/mol
Exact Mass207.90
IUPAC Name2,3,4,4-tetrachlorobutanal
SMILESO=CC(Cl)C(Cl)C(Cl)Cl
InChIInChI=1S/C4H4Cl4O/c5-2(1-9)3(6)4(7)8/h1-4H
InChIKeyLBOIDLNTJHODOL-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.89
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4,4-tetrachlorobutanal with MolForge

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

Launch Full Analysis

Related Compounds

2,2,3-Trichlorobutanal
CID 64686
2,3-Dichlorobutanal
CID 151306
2,2,4-Trichlorobutanal
CID 2724845
Pentanal, 2,2,5-trichloro-
CID 2724839
Trichlorobutanal
CID 51381000
3,4-Dichlorobutanal
CID 14914315
2,4-Dichlorobutanal
CID 18670627
2,3,4-Trichlorobutanal
CID 19899533
2,4,4,4-Tetrachlorobutanal
CID 20244559
2,2,4,4,4-Pentachlorobutanal
CID 20244562
2,2,4,4-Tetrachlorobutanal
CID 20244564
2,2,3-Trichloropentanal
CID 20543863

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetrachlorobutanal?
The IUPAC name of 2,3,4,4-tetrachlorobutanal (CID 173282499) is 2,3,4,4-tetrachlorobutanal.
What is the SMILES notation for 2,3,4,4-tetrachlorobutanal?
The canonical SMILES for 2,3,4,4-tetrachlorobutanal is O=CC(Cl)C(Cl)C(Cl)Cl.
What is the InChIKey of 2,3,4,4-tetrachlorobutanal?
The InChIKey is LBOIDLNTJHODOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl4O/c5-2(1-9)3(6)4(7)8/h1-4H.
What are the key properties of 2,3,4,4-tetrachlorobutanal?
2,3,4,4-tetrachlorobutanal has a molecular weight of 209.89 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetrachlorobutanal is sourced from PubChem (CID 173282499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).