1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane

C3H3BrF4O — CID 10921776

IUPAC1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane
SMILESCOC(F)(F)C(F)(F)Br
InChIInChI=1S/C3H3BrF4O/c1-9-3(7,8)2(4,5)6/h1H3
InChIKeyYOXBAPCUSMFUDJ-UHFFFAOYSA-N
MW210.95 g/mol
LogP2.21
Rot. Bonds2

About 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane

1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane (PubChem CID 10921776) has the molecular formula C3H3BrF4O and a molecular weight of 210.95 g/mol. Its IUPAC name is 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane.

Molecular Properties

Compound Name1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane
PubChem CID10921776
Molecular FormulaC3H3BrF4O
Molecular Weight210.95 g/mol
Exact Mass209.93
IUPAC Name1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane
SMILESCOC(F)(F)C(F)(F)Br
InChIInChI=1S/C3H3BrF4O/c1-9-3(7,8)2(4,5)6/h1H3
InChIKeyYOXBAPCUSMFUDJ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.95
LogP ≤ 52.21
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane?
The IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane (CID 10921776) is 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane.
What is the SMILES notation for 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane?
The canonical SMILES for 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane is COC(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane?
The InChIKey is YOXBAPCUSMFUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrF4O/c1-9-3(7,8)2(4,5)6/h1H3.
What are the key properties of 1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane?
1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane has a molecular weight of 210.95 g/mol, XLogP of 2.21, 2 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-methoxyethane is sourced from PubChem (CID 10921776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).