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

C3H2BrF5O — CID 21325450

IUPAC1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane
SMILESFC(F)OC(F)(Br)C(F)F
InChIInChI=1S/C3H2BrF5O/c4-3(9,1(5)6)10-2(7)8/h1-2H
InChIKeyLIFQIKMWFLTTNM-UHFFFAOYSA-N
MW228.94 g/mol
LogP2.51
Rot. Bonds3

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

1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane (PubChem CID 21325450) has the molecular formula C3H2BrF5O and a molecular weight of 228.94 g/mol. Its IUPAC name is 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane
PubChem CID21325450
Molecular FormulaC3H2BrF5O
Molecular Weight228.94 g/mol
Exact Mass227.92
IUPAC Name1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane
SMILESFC(F)OC(F)(Br)C(F)F
InChIInChI=1S/C3H2BrF5O/c4-3(9,1(5)6)10-2(7)8/h1-2H
InChIKeyLIFQIKMWFLTTNM-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 1-bromo-1-(difluoromethoxy)-1,2,2-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 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane?
The IUPAC name of 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane (CID 21325450) is 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane.
What is the SMILES notation for 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane?
The canonical SMILES for 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane is FC(F)OC(F)(Br)C(F)F.
What is the InChIKey of 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane?
The InChIKey is LIFQIKMWFLTTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrF5O/c4-3(9,1(5)6)10-2(7)8/h1-2H.
What are the key properties of 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane?
1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane has a molecular weight of 228.94 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane is sourced from PubChem (CID 21325450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).