chloroform;methyl prop-2-enoate

C5H7Cl3O2 — CID 123529405

IUPACchloroform;methyl prop-2-enoate
SMILESC=CC(=O)OC.ClC(Cl)Cl
InChIInChI=1S/C4H6O2.CHCl3/c1-3-4(5)6-2;2-1(3)4/h3H,1H2,2H3;1H
InChIKeyIGHZQDSPTKFLRF-UHFFFAOYSA-N
MW205.47 g/mol
LogP2.33
Rot. Bonds1

About chloroform;methyl prop-2-enoate

chloroform;methyl prop-2-enoate (PubChem CID 123529405) has the molecular formula C5H7Cl3O2 and a molecular weight of 205.47 g/mol. Its IUPAC name is chloroform;methyl prop-2-enoate.

Molecular Properties

Compound Namechloroform;methyl prop-2-enoate
PubChem CID123529405
Molecular FormulaC5H7Cl3O2
Molecular Weight205.47 g/mol
Exact Mass203.95
IUPAC Namechloroform;methyl prop-2-enoate
SMILESC=CC(=O)OC.ClC(Cl)Cl
InChIInChI=1S/C4H6O2.CHCl3/c1-3-4(5)6-2;2-1(3)4/h3H,1H2,2H3;1H
InChIKeyIGHZQDSPTKFLRF-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloroform;methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
chloro acetate;methyl prop-2-enoate
CID 174436882
3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181
chloroethene;1,1-dichloroethene;methyl prop-2-enoate
CID 122698237
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695
benzene;ethene;methyl prop-2-enoate
CID 174897686
methyl prop-2-enoate;phosphoric acid
CID 174689976

Frequently Asked Questions

What is the IUPAC name of chloroform;methyl prop-2-enoate?
The IUPAC name of chloroform;methyl prop-2-enoate (CID 123529405) is chloroform;methyl prop-2-enoate.
What is the SMILES notation for chloroform;methyl prop-2-enoate?
The canonical SMILES for chloroform;methyl prop-2-enoate is C=CC(=O)OC.ClC(Cl)Cl.
What is the InChIKey of chloroform;methyl prop-2-enoate?
The InChIKey is IGHZQDSPTKFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.CHCl3/c1-3-4(5)6-2;2-1(3)4/h3H,1H2,2H3;1H.
What are the key properties of chloroform;methyl prop-2-enoate?
chloroform;methyl prop-2-enoate has a molecular weight of 205.47 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;methyl prop-2-enoate is sourced from PubChem (CID 123529405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).