bromomethyl 2-chloroprop-2-enoate

C4H4BrClO2 — CID 139854962

IUPACbromomethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCBr
InChIInChI=1S/C4H4BrClO2/c1-3(6)4(7)8-2-5/h1-2H2
InChIKeyYHQJQQWIDNZJNK-UHFFFAOYSA-N
MW199.43 g/mol
LogP1.63
Rot. Bonds2

About bromomethyl 2-chloroprop-2-enoate

bromomethyl 2-chloroprop-2-enoate (PubChem CID 139854962) has the molecular formula C4H4BrClO2 and a molecular weight of 199.43 g/mol. Its IUPAC name is bromomethyl 2-chloroprop-2-enoate.

Molecular Properties

Compound Namebromomethyl 2-chloroprop-2-enoate
PubChem CID139854962
Molecular FormulaC4H4BrClO2
Molecular Weight199.43 g/mol
Exact Mass197.91
IUPAC Namebromomethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCBr
InChIInChI=1S/C4H4BrClO2/c1-3(6)4(7)8-2-5/h1-2H2
InChIKeyYHQJQQWIDNZJNK-UHFFFAOYSA-N
XLogP1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.43
LogP ≤ 51.63
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'}

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Related Compounds

tetradecyl 2-chloroprop-2-enoate
CID 54118378
1-ethoxyethenyl 2-chloroprop-2-enoate
CID 170164191
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-chloroprop-2-enoate
CID 139939074
2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene
CID 59339966
2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium
CID 59339965
1-hydroxyethyl 2-chloroprop-2-enoate
CID 22155739
butyl prop-2-enoate;ethyl 2-chloroprop-2-enoate;ethyl prop-2-enoate
CID 88829985
1,1-dichloroethene;urea
CID 174817007
bis(bromomethyl) propanedioate
CID 159444620
3-hydroxybutan-2-yl 2-chloroprop-2-enoate
CID 87235238
(2,3,4,5,6-pentafluorophenyl) 2-chloroprop-2-enoate
CID 23163869
2-chloroprop-2-enyl hydrogen carbonate
CID 22386377

Frequently Asked Questions

What is the IUPAC name of bromomethyl 2-chloroprop-2-enoate?
The IUPAC name of bromomethyl 2-chloroprop-2-enoate (CID 139854962) is bromomethyl 2-chloroprop-2-enoate.
What is the SMILES notation for bromomethyl 2-chloroprop-2-enoate?
The canonical SMILES for bromomethyl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OCBr.
What is the InChIKey of bromomethyl 2-chloroprop-2-enoate?
The InChIKey is YHQJQQWIDNZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrClO2/c1-3(6)4(7)8-2-5/h1-2H2.
What are the key properties of bromomethyl 2-chloroprop-2-enoate?
bromomethyl 2-chloroprop-2-enoate has a molecular weight of 199.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl 2-chloroprop-2-enoate is sourced from PubChem (CID 139854962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).