dichloromethane;(3R)-3-iodooxolane

C5H9Cl2IO — CID 158826535

IUPACdichloromethane;(3R)-3-iodooxolane
SMILESClCCl.I[C@@H]1CCOC1
InChIInChI=1S/C4H7IO.CH2Cl2/c5-4-1-2-6-3-4;2-1-3/h4H,1-3H2;1H2/t4-;/m1./s1
InChIKeyIWNHBCSRKCCGNV-PGMHMLKASA-N
MW282.94 g/mol
LogP2.63
Rot. Bonds

About dichloromethane;(3R)-3-iodooxolane

dichloromethane;(3R)-3-iodooxolane (PubChem CID 158826535) has the molecular formula C5H9Cl2IO and a molecular weight of 282.94 g/mol. Its IUPAC name is dichloromethane;(3R)-3-iodooxolane.

Molecular Properties

Compound Namedichloromethane;(3R)-3-iodooxolane
PubChem CID158826535
Molecular FormulaC5H9Cl2IO
Molecular Weight282.94 g/mol
Exact Mass281.91
IUPAC Namedichloromethane;(3R)-3-iodooxolane
SMILESClCCl.I[C@@H]1CCOC1
InChIInChI=1S/C4H7IO.CH2Cl2/c5-4-1-2-6-3-4;2-1-3/h4H,1-3H2;1H2/t4-;/m1./s1
InChIKeyIWNHBCSRKCCGNV-PGMHMLKASA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.94
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;(3R)-3-iodooxolane?
The IUPAC name of dichloromethane;(3R)-3-iodooxolane (CID 158826535) is dichloromethane;(3R)-3-iodooxolane.
What is the SMILES notation for dichloromethane;(3R)-3-iodooxolane?
The canonical SMILES for dichloromethane;(3R)-3-iodooxolane is ClCCl.I[C@@H]1CCOC1.
What is the InChIKey of dichloromethane;(3R)-3-iodooxolane?
The InChIKey is IWNHBCSRKCCGNV-PGMHMLKASA-N. The full InChI is InChI=1S/C4H7IO.CH2Cl2/c5-4-1-2-6-3-4;2-1-3/h4H,1-3H2;1H2/t4-;/m1./s1.
What are the key properties of dichloromethane;(3R)-3-iodooxolane?
dichloromethane;(3R)-3-iodooxolane has a molecular weight of 282.94 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;(3R)-3-iodooxolane is sourced from PubChem (CID 158826535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).