2-(dichloromethoxy)-1,1,1-trifluoroethane

C3H3Cl2F3O — CID 18544736

IUPAC2-(dichloromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(Cl)Cl
InChIInChI=1S/C3H3Cl2F3O/c4-2(5)9-1-3(6,7)8/h2H,1H2
InChIKeyWYRZXDVGXFLKKU-UHFFFAOYSA-N
MW182.96 g/mol
LogP2.33
Rot. Bonds2

About 2-(dichloromethoxy)-1,1,1-trifluoroethane

2-(dichloromethoxy)-1,1,1-trifluoroethane (PubChem CID 18544736) has the molecular formula C3H3Cl2F3O and a molecular weight of 182.96 g/mol. Its IUPAC name is 2-(dichloromethoxy)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-(dichloromethoxy)-1,1,1-trifluoroethane
PubChem CID18544736
Molecular FormulaC3H3Cl2F3O
Molecular Weight182.96 g/mol
Exact Mass181.95
IUPAC Name2-(dichloromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(Cl)Cl
InChIInChI=1S/C3H3Cl2F3O/c4-2(5)9-1-3(6,7)8/h2H,1H2
InChIKeyWYRZXDVGXFLKKU-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.96
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(dichloromethoxy)-1,1,1-trifluoroethane?
The IUPAC name of 2-(dichloromethoxy)-1,1,1-trifluoroethane (CID 18544736) is 2-(dichloromethoxy)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-(dichloromethoxy)-1,1,1-trifluoroethane?
The canonical SMILES for 2-(dichloromethoxy)-1,1,1-trifluoroethane is FC(F)(F)COC(Cl)Cl.
What is the InChIKey of 2-(dichloromethoxy)-1,1,1-trifluoroethane?
The InChIKey is WYRZXDVGXFLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2F3O/c4-2(5)9-1-3(6,7)8/h2H,1H2.
What are the key properties of 2-(dichloromethoxy)-1,1,1-trifluoroethane?
2-(dichloromethoxy)-1,1,1-trifluoroethane has a molecular weight of 182.96 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethoxy)-1,1,1-trifluoroethane is sourced from PubChem (CID 18544736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).