2,2,3-trichloropropanal

C3H3Cl3O — CID 24623

IUPAC2,2,3-trichloropropanal
SMILESO=CC(Cl)(Cl)CCl
InChIInChI=1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2
InChIKeyVMVQOWJGWBIGEU-UHFFFAOYSA-N
MW161.41 g/mol
LogP1.60
Rot. Bonds2

About 2,2,3-trichloropropanal

2,2,3-trichloropropanal (PubChem CID 24623) has the molecular formula C3H3Cl3O and a molecular weight of 161.41 g/mol. Its IUPAC name is 2,2,3-trichloropropanal.

Molecular Properties

Compound Name2,2,3-trichloropropanal
PubChem CID24623
Molecular FormulaC3H3Cl3O
Molecular Weight161.41 g/mol
Exact Mass159.92
IUPAC Name2,2,3-trichloropropanal
SMILESO=CC(Cl)(Cl)CCl
InChIInChI=1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2
InChIKeyVMVQOWJGWBIGEU-UHFFFAOYSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.41
LogP ≤ 51.60
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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Related Compounds

2,3-Dichloropropionaldehyde
CID 93058
2,2,3-Trichlorobutanal
CID 64686
3,3-Dichloropropanal
CID 20303553
3,3-Dichloro-2-oxopropanal
CID 22101320
2,2,3,3,3-Pentachloropropanal
CID 53797717
3,3-Dichloro-2-fluoropropanal
CID 175402983
Trichlorobutanal
CID 51381000
2,3,3-Trichloropropanal
CID 18421064
2,3,3,3-Tetrachloropropanal
CID 54121700
2,2,3,3-Tetrachloropropanal
CID 54525635
2,2,3-Trichlorobutanedial
CID 87593377
2,3,3-Trichloro-2-methylpropanal
CID 88407723

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trichloropropanal?
The IUPAC name of 2,2,3-trichloropropanal (CID 24623) is 2,2,3-trichloropropanal.
What is the SMILES notation for 2,2,3-trichloropropanal?
The canonical SMILES for 2,2,3-trichloropropanal is O=CC(Cl)(Cl)CCl.
What is the InChIKey of 2,2,3-trichloropropanal?
The InChIKey is VMVQOWJGWBIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2.
What are the key properties of 2,2,3-trichloropropanal?
2,2,3-trichloropropanal has a molecular weight of 161.41 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trichloropropanal is sourced from PubChem (CID 24623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).