methanol;2,2,2-trichloroethanol

C3H7Cl3O2 — CID 18411992

IUPACmethanol;2,2,2-trichloroethanol
SMILESCO.OCC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3O.CH4O/c3-2(4,5)1-6;1-2/h6H,1H2;2H,1H3
InChIKeyIUADZXJOPVLHGT-UHFFFAOYSA-N
MW181.45 g/mol
LogP0.96
Rot. Bonds

About methanol;2,2,2-trichloroethanol

methanol;2,2,2-trichloroethanol (PubChem CID 18411992) has the molecular formula C3H7Cl3O2 and a molecular weight of 181.45 g/mol. Its IUPAC name is methanol;2,2,2-trichloroethanol.

Molecular Properties

Compound Namemethanol;2,2,2-trichloroethanol
PubChem CID18411992
Molecular FormulaC3H7Cl3O2
Molecular Weight181.45 g/mol
Exact Mass179.95
IUPAC Namemethanol;2,2,2-trichloroethanol
SMILESCO.OCC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3O.CH4O/c3-2(4,5)1-6;1-2/h6H,1H2;2H,1H3
InChIKeyIUADZXJOPVLHGT-UHFFFAOYSA-N
XLogP0.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
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 methanol;2,2,2-trichloroethanol?
The IUPAC name of methanol;2,2,2-trichloroethanol (CID 18411992) is methanol;2,2,2-trichloroethanol.
What is the SMILES notation for methanol;2,2,2-trichloroethanol?
The canonical SMILES for methanol;2,2,2-trichloroethanol is CO.OCC(Cl)(Cl)Cl.
What is the InChIKey of methanol;2,2,2-trichloroethanol?
The InChIKey is IUADZXJOPVLHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3O.CH4O/c3-2(4,5)1-6;1-2/h6H,1H2;2H,1H3.
What are the key properties of methanol;2,2,2-trichloroethanol?
methanol;2,2,2-trichloroethanol has a molecular weight of 181.45 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2,2,2-trichloroethanol is sourced from PubChem (CID 18411992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).