2,2,3,3-tetrachloropropanal

C3H2Cl4O — CID 54525635

IUPAC2,2,3,3-tetrachloropropanal
SMILESO=CC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C3H2Cl4O/c4-2(5)3(6,7)1-8/h1-2H
InChIKeyLBEKLAXHKOTVOD-UHFFFAOYSA-N
MW195.86 g/mol
LogP2.16
Rot. Bonds2

About 2,2,3,3-tetrachloropropanal

2,2,3,3-tetrachloropropanal (PubChem CID 54525635) has the molecular formula C3H2Cl4O and a molecular weight of 195.86 g/mol. Its IUPAC name is 2,2,3,3-tetrachloropropanal.

Molecular Properties

Compound Name2,2,3,3-tetrachloropropanal
PubChem CID54525635
Molecular FormulaC3H2Cl4O
Molecular Weight195.86 g/mol
Exact Mass193.89
IUPAC Name2,2,3,3-tetrachloropropanal
SMILESO=CC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C3H2Cl4O/c4-2(5)3(6,7)1-8/h1-2H
InChIKeyLBEKLAXHKOTVOD-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.86
LogP ≤ 52.16
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 2,2,3,3-tetrachloropropanal?
The IUPAC name of 2,2,3,3-tetrachloropropanal (CID 54525635) is 2,2,3,3-tetrachloropropanal.
What is the SMILES notation for 2,2,3,3-tetrachloropropanal?
The canonical SMILES for 2,2,3,3-tetrachloropropanal is O=CC(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 2,2,3,3-tetrachloropropanal?
The InChIKey is LBEKLAXHKOTVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl4O/c4-2(5)3(6,7)1-8/h1-2H.
What are the key properties of 2,2,3,3-tetrachloropropanal?
2,2,3,3-tetrachloropropanal has a molecular weight of 195.86 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrachloropropanal is sourced from PubChem (CID 54525635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).