2-chloropropanal;hydrochloride

C3H6Cl2O — CID 172815744

IUPAC2-chloropropanal;hydrochloride
SMILESCC(Cl)C=O.Cl
InChIInChI=1S/C3H5ClO.ClH/c1-3(4)2-5;/h2-3H,1H3;1H
InChIKeySUAKYZDTBIYURQ-UHFFFAOYSA-N
MW128.99 g/mol
LogP1.23
Rot. Bonds1

About 2-chloropropanal;hydrochloride

2-chloropropanal;hydrochloride (PubChem CID 172815744) has the molecular formula C3H6Cl2O and a molecular weight of 128.99 g/mol. Its IUPAC name is 2-chloropropanal;hydrochloride.

Molecular Properties

Compound Name2-chloropropanal;hydrochloride
PubChem CID172815744
Molecular FormulaC3H6Cl2O
Molecular Weight128.99 g/mol
Exact Mass127.98
IUPAC Name2-chloropropanal;hydrochloride
SMILESCC(Cl)C=O.Cl
InChIInChI=1S/C3H5ClO.ClH/c1-3(4)2-5;/h2-3H,1H3;1H
InChIKeySUAKYZDTBIYURQ-UHFFFAOYSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.99
LogP ≤ 51.23
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-chloropropanal;hydrochloride?
The IUPAC name of 2-chloropropanal;hydrochloride (CID 172815744) is 2-chloropropanal;hydrochloride.
What is the SMILES notation for 2-chloropropanal;hydrochloride?
The canonical SMILES for 2-chloropropanal;hydrochloride is CC(Cl)C=O.Cl.
What is the InChIKey of 2-chloropropanal;hydrochloride?
The InChIKey is SUAKYZDTBIYURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.ClH/c1-3(4)2-5;/h2-3H,1H3;1H.
What are the key properties of 2-chloropropanal;hydrochloride?
2-chloropropanal;hydrochloride has a molecular weight of 128.99 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropanal;hydrochloride is sourced from PubChem (CID 172815744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).