dichloromethane;prop-2-enoyl chloride

C4H5Cl3O — CID 146265417

IUPACdichloromethane;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.ClCCl
InChIInChI=1S/C3H3ClO.CH2Cl2/c1-2-3(4)5;2-1-3/h2H,1H2;1H2
InChIKeyAGEBQUJUTHSUKI-UHFFFAOYSA-N
MW175.44 g/mol
LogP2.36
Rot. Bonds1

About dichloromethane;prop-2-enoyl chloride

dichloromethane;prop-2-enoyl chloride (PubChem CID 146265417) has the molecular formula C4H5Cl3O and a molecular weight of 175.44 g/mol. Its IUPAC name is dichloromethane;prop-2-enoyl chloride.

Molecular Properties

Compound Namedichloromethane;prop-2-enoyl chloride
PubChem CID146265417
Molecular FormulaC4H5Cl3O
Molecular Weight175.44 g/mol
Exact Mass173.94
IUPAC Namedichloromethane;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.ClCCl
InChIInChI=1S/C3H3ClO.CH2Cl2/c1-2-3(4)5;2-1-3/h2H,1H2;1H2
InChIKeyAGEBQUJUTHSUKI-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;prop-2-enoyl chloride?
The IUPAC name of dichloromethane;prop-2-enoyl chloride (CID 146265417) is dichloromethane;prop-2-enoyl chloride.
What is the SMILES notation for dichloromethane;prop-2-enoyl chloride?
The canonical SMILES for dichloromethane;prop-2-enoyl chloride is C=CC(=O)Cl.ClCCl.
What is the InChIKey of dichloromethane;prop-2-enoyl chloride?
The InChIKey is AGEBQUJUTHSUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClO.CH2Cl2/c1-2-3(4)5;2-1-3/h2H,1H2;1H2.
What are the key properties of dichloromethane;prop-2-enoyl chloride?
dichloromethane;prop-2-enoyl chloride has a molecular weight of 175.44 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;prop-2-enoyl chloride is sourced from PubChem (CID 146265417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).