chloroethene;prop-2-enoyl chloride

C5H6Cl2O — CID 159122718

IUPACchloroethene;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CCl
InChIInChI=1S/C3H3ClO.C2H3Cl/c1-2-3(4)5;1-2-3/h2H,1H2;2H,1H2
InChIKeyKFWYKQCCUPLFIU-UHFFFAOYSA-N
MW153.01 g/mol
LogP2.31
Rot. Bonds1

About chloroethene;prop-2-enoyl chloride

chloroethene;prop-2-enoyl chloride (PubChem CID 159122718) has the molecular formula C5H6Cl2O and a molecular weight of 153.01 g/mol. Its IUPAC name is chloroethene;prop-2-enoyl chloride.

Molecular Properties

Compound Namechloroethene;prop-2-enoyl chloride
PubChem CID159122718
Molecular FormulaC5H6Cl2O
Molecular Weight153.01 g/mol
Exact Mass151.98
IUPAC Namechloroethene;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CCl
InChIInChI=1S/C3H3ClO.C2H3Cl/c1-2-3(4)5;1-2-3/h2H,1H2;2H,1H2
InChIKeyKFWYKQCCUPLFIU-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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 chloroethene;prop-2-enoyl chloride?
The IUPAC name of chloroethene;prop-2-enoyl chloride (CID 159122718) is chloroethene;prop-2-enoyl chloride.
What is the SMILES notation for chloroethene;prop-2-enoyl chloride?
The canonical SMILES for chloroethene;prop-2-enoyl chloride is C=CC(=O)Cl.C=CCl.
What is the InChIKey of chloroethene;prop-2-enoyl chloride?
The InChIKey is KFWYKQCCUPLFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClO.C2H3Cl/c1-2-3(4)5;1-2-3/h2H,1H2;2H,1H2.
What are the key properties of chloroethene;prop-2-enoyl chloride?
chloroethene;prop-2-enoyl chloride has a molecular weight of 153.01 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;prop-2-enoyl chloride is sourced from PubChem (CID 159122718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).