(2R)-oxirane-2-carbonyl chloride

C3H3ClO2 — CID 89298336

IUPAC(2R)-oxirane-2-carbonyl chloride
SMILESO=C(Cl)[C@H]1CO1
InChIInChI=1S/C3H3ClO2/c4-3(5)2-1-6-2/h2H,1H2/t2-/m1/s1
InChIKeyBUYGWVWSUADNOS-UWTATZPHSA-N
MW106.51 g/mol
LogP0.15
Rot. Bonds1

About (2R)-oxirane-2-carbonyl chloride

(2R)-oxirane-2-carbonyl chloride (PubChem CID 89298336) has the molecular formula C3H3ClO2 and a molecular weight of 106.51 g/mol. Its IUPAC name is (2R)-oxirane-2-carbonyl chloride.

Molecular Properties

Compound Name(2R)-oxirane-2-carbonyl chloride
PubChem CID89298336
Molecular FormulaC3H3ClO2
Molecular Weight106.51 g/mol
Exact Mass105.98
IUPAC Name(2R)-oxirane-2-carbonyl chloride
SMILESO=C(Cl)[C@H]1CO1
InChIInChI=1S/C3H3ClO2/c4-3(5)2-1-6-2/h2H,1H2/t2-/m1/s1
InChIKeyBUYGWVWSUADNOS-UWTATZPHSA-N
XLogP0.15
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.51
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-oxirane-2-carbonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-oxirane-2-carbonyl chloride?
The IUPAC name of (2R)-oxirane-2-carbonyl chloride (CID 89298336) is (2R)-oxirane-2-carbonyl chloride.
What is the SMILES notation for (2R)-oxirane-2-carbonyl chloride?
The canonical SMILES for (2R)-oxirane-2-carbonyl chloride is O=C(Cl)[C@H]1CO1.
What is the InChIKey of (2R)-oxirane-2-carbonyl chloride?
The InChIKey is BUYGWVWSUADNOS-UWTATZPHSA-N. The full InChI is InChI=1S/C3H3ClO2/c4-3(5)2-1-6-2/h2H,1H2/t2-/m1/s1.
What are the key properties of (2R)-oxirane-2-carbonyl chloride?
(2R)-oxirane-2-carbonyl chloride has a molecular weight of 106.51 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-oxirane-2-carbonyl chloride is sourced from PubChem (CID 89298336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).