chloroform;methanol;oxolane

C6H13Cl3O2 — CID 22742167

IUPACchloroform;methanol;oxolane
SMILESC1CCOC1.CO.ClC(Cl)Cl
InChIInChI=1S/C4H8O.CHCl3.CH4O/c1-2-4-5-3-1;2-1(3)4;1-2/h1-4H2;1H;2H,1H3
InChIKeyFIRBJEGOIRDYDQ-UHFFFAOYSA-N
MW223.53 g/mol
LogP2.39
Rot. Bonds

About chloroform;methanol;oxolane

chloroform;methanol;oxolane (PubChem CID 22742167) has the molecular formula C6H13Cl3O2 and a molecular weight of 223.53 g/mol. Its IUPAC name is chloroform;methanol;oxolane.

Molecular Properties

Compound Namechloroform;methanol;oxolane
PubChem CID22742167
Molecular FormulaC6H13Cl3O2
Molecular Weight223.53 g/mol
Exact Mass222.00
IUPAC Namechloroform;methanol;oxolane
SMILESC1CCOC1.CO.ClC(Cl)Cl
InChIInChI=1S/C4H8O.CHCl3.CH4O/c1-2-4-5-3-1;2-1(3)4;1-2/h1-4H2;1H;2H,1H3
InChIKeyFIRBJEGOIRDYDQ-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroform;methanol;oxolane?
The IUPAC name of chloroform;methanol;oxolane (CID 22742167) is chloroform;methanol;oxolane.
What is the SMILES notation for chloroform;methanol;oxolane?
The canonical SMILES for chloroform;methanol;oxolane is C1CCOC1.CO.ClC(Cl)Cl.
What is the InChIKey of chloroform;methanol;oxolane?
The InChIKey is FIRBJEGOIRDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CHCl3.CH4O/c1-2-4-5-3-1;2-1(3)4;1-2/h1-4H2;1H;2H,1H3.
What are the key properties of chloroform;methanol;oxolane?
chloroform;methanol;oxolane has a molecular weight of 223.53 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;methanol;oxolane is sourced from PubChem (CID 22742167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).