2-(bromomethoxy)-1,1,1-trifluoroethane

C3H4BrF3O — CID 103691523

IUPAC2-(bromomethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)COCBr
InChIInChI=1S/C3H4BrF3O/c4-2-8-1-3(5,6)7/h1-2H2
InChIKeyZZHSTWLCBDOBQY-UHFFFAOYSA-N
MW192.96 g/mol
LogP1.92
Rot. Bonds2

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

2-(bromomethoxy)-1,1,1-trifluoroethane (PubChem CID 103691523) has the molecular formula C3H4BrF3O and a molecular weight of 192.96 g/mol. Its IUPAC name is 2-(bromomethoxy)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-(bromomethoxy)-1,1,1-trifluoroethane
PubChem CID103691523
Molecular FormulaC3H4BrF3O
Molecular Weight192.96 g/mol
Exact Mass191.94
IUPAC Name2-(bromomethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)COCBr
InChIInChI=1S/C3H4BrF3O/c4-2-8-1-3(5,6)7/h1-2H2
InChIKeyZZHSTWLCBDOBQY-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.96
LogP ≤ 51.92
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-(bromomethoxy)-1,1,1-trifluoroethane?
The IUPAC name of 2-(bromomethoxy)-1,1,1-trifluoroethane (CID 103691523) is 2-(bromomethoxy)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-(bromomethoxy)-1,1,1-trifluoroethane?
The canonical SMILES for 2-(bromomethoxy)-1,1,1-trifluoroethane is FC(F)(F)COCBr.
What is the InChIKey of 2-(bromomethoxy)-1,1,1-trifluoroethane?
The InChIKey is ZZHSTWLCBDOBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrF3O/c4-2-8-1-3(5,6)7/h1-2H2.
What are the key properties of 2-(bromomethoxy)-1,1,1-trifluoroethane?
2-(bromomethoxy)-1,1,1-trifluoroethane has a molecular weight of 192.96 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethoxy)-1,1,1-trifluoroethane is sourced from PubChem (CID 103691523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).