2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane

C3H2BrF5O — CID 3082360

IUPAC2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)OC(Br)C(F)(F)F
InChIInChI=1S/C3H2BrF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKeyVETSGVFTQSETEW-UHFFFAOYSA-N
MW228.94 g/mol
LogP2.51
Rot. Bonds2

About 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane

2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane (PubChem CID 3082360) has the molecular formula C3H2BrF5O and a molecular weight of 228.94 g/mol. Its IUPAC name is 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane
PubChem CID3082360
Molecular FormulaC3H2BrF5O
Molecular Weight228.94 g/mol
Exact Mass227.92
IUPAC Name2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)OC(Br)C(F)(F)F
InChIInChI=1S/C3H2BrF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKeyVETSGVFTQSETEW-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.94
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane?
The IUPAC name of 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane (CID 3082360) is 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane?
The canonical SMILES for 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane is FC(F)OC(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane?
The InChIKey is VETSGVFTQSETEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H.
What are the key properties of 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane?
2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane has a molecular weight of 228.94 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(difluoromethoxy)-1,1,1-trifluoroethane is sourced from PubChem (CID 3082360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).