2,3,3,3-tetrachloro-2-methylpropanal

C4H4Cl4O — CID 19893108

IUPAC2,3,3,3-tetrachloro-2-methylpropanal
SMILESCC(Cl)(C=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H4Cl4O/c1-3(5,2-9)4(6,7)8/h2H,1H3
InChIKeyZTPYUZLVYLMYJL-UHFFFAOYSA-N
MW209.89 g/mol
LogP2.55
Rot. Bonds1

About 2,3,3,3-tetrachloro-2-methylpropanal

2,3,3,3-tetrachloro-2-methylpropanal (PubChem CID 19893108) has the molecular formula C4H4Cl4O and a molecular weight of 209.89 g/mol. Its IUPAC name is 2,3,3,3-tetrachloro-2-methylpropanal.

Molecular Properties

Compound Name2,3,3,3-tetrachloro-2-methylpropanal
PubChem CID19893108
Molecular FormulaC4H4Cl4O
Molecular Weight209.89 g/mol
Exact Mass207.90
IUPAC Name2,3,3,3-tetrachloro-2-methylpropanal
SMILESCC(Cl)(C=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H4Cl4O/c1-3(5,2-9)4(6,7)8/h2H,1H3
InChIKeyZTPYUZLVYLMYJL-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.89
LogP ≤ 52.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrachloro-2-methylpropanal?
The IUPAC name of 2,3,3,3-tetrachloro-2-methylpropanal (CID 19893108) is 2,3,3,3-tetrachloro-2-methylpropanal.
What is the SMILES notation for 2,3,3,3-tetrachloro-2-methylpropanal?
The canonical SMILES for 2,3,3,3-tetrachloro-2-methylpropanal is CC(Cl)(C=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,3,3,3-tetrachloro-2-methylpropanal?
The InChIKey is ZTPYUZLVYLMYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl4O/c1-3(5,2-9)4(6,7)8/h2H,1H3.
What are the key properties of 2,3,3,3-tetrachloro-2-methylpropanal?
2,3,3,3-tetrachloro-2-methylpropanal has a molecular weight of 209.89 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrachloro-2-methylpropanal is sourced from PubChem (CID 19893108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).