2-bromoacetyl chloride;oxolane

C6H10BrClO2 — CID 175477838

IUPAC2-bromoacetyl chloride;oxolane
SMILESC1CCOC1.O=C(Cl)CBr
InChIInChI=1S/C4H8O.C2H2BrClO/c1-2-4-5-3-1;3-1-2(4)5/h1-4H2;1H2
InChIKeySBFGRYKPSBGPKL-UHFFFAOYSA-N
MW229.50 g/mol
LogP1.94
Rot. Bonds1

About 2-bromoacetyl chloride;oxolane

2-bromoacetyl chloride;oxolane (PubChem CID 175477838) has the molecular formula C6H10BrClO2 and a molecular weight of 229.50 g/mol. Its IUPAC name is 2-bromoacetyl chloride;oxolane.

Molecular Properties

Compound Name2-bromoacetyl chloride;oxolane
PubChem CID175477838
Molecular FormulaC6H10BrClO2
Molecular Weight229.50 g/mol
Exact Mass227.96
IUPAC Name2-bromoacetyl chloride;oxolane
SMILESC1CCOC1.O=C(Cl)CBr
InChIInChI=1S/C4H8O.C2H2BrClO/c1-2-4-5-3-1;3-1-2(4)5/h1-4H2;1H2
InChIKeySBFGRYKPSBGPKL-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.50
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxolane;propanoyl chloride
CID 159210867
3-chloropropanoyl chloride;oxolane
CID 159867407
carbonochloridic acid;oxane
CID 86597623
carbonic acid;oxolane
CID 68584797
butanedioic acid;oxolane
CID 70210247
carbonic acid;oxane
CID 70293219
oxolane;propan-2-one
CID 22559816
molecular bromine;oxolane
CID 86660775
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
oxolane;propanoic acid
CID 162183532
2-bromo-1-(1,4-oxazepan-4-yl)ethanone
CID 63679551

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetyl chloride;oxolane?
The IUPAC name of 2-bromoacetyl chloride;oxolane (CID 175477838) is 2-bromoacetyl chloride;oxolane.
What is the SMILES notation for 2-bromoacetyl chloride;oxolane?
The canonical SMILES for 2-bromoacetyl chloride;oxolane is C1CCOC1.O=C(Cl)CBr.
What is the InChIKey of 2-bromoacetyl chloride;oxolane?
The InChIKey is SBFGRYKPSBGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H2BrClO/c1-2-4-5-3-1;3-1-2(4)5/h1-4H2;1H2.
What are the key properties of 2-bromoacetyl chloride;oxolane?
2-bromoacetyl chloride;oxolane has a molecular weight of 229.50 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetyl chloride;oxolane is sourced from PubChem (CID 175477838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).