1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane

C3H2BrF5O — CID 154065378

IUPAC1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
SMILESFCOC(F)(F)C(F)(F)Br
InChIInChI=1S/C3H2BrF5O/c4-2(6,7)3(8,9)10-1-5/h1H2
InChIKeyQVOCJSGDQBYWDP-UHFFFAOYSA-N
MW228.94 g/mol
LogP2.51
Rot. Bonds3

About 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane

1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane (PubChem CID 154065378) has the molecular formula C3H2BrF5O and a molecular weight of 228.94 g/mol. Its IUPAC name is 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane.

Molecular Properties

Compound Name1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
PubChem CID154065378
Molecular FormulaC3H2BrF5O
Molecular Weight228.94 g/mol
Exact Mass227.92
IUPAC Name1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
SMILESFCOC(F)(F)C(F)(F)Br
InChIInChI=1S/C3H2BrF5O/c4-2(6,7)3(8,9)10-1-5/h1H2
InChIKeyQVOCJSGDQBYWDP-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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane 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-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane?
The IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane (CID 154065378) is 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane.
What is the SMILES notation for 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane?
The canonical SMILES for 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane is FCOC(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane?
The InChIKey is QVOCJSGDQBYWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrF5O/c4-2(6,7)3(8,9)10-1-5/h1H2.
What are the key properties of 1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane?
1-bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane 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-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane is sourced from PubChem (CID 154065378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).