1,1-dibromo-1,2,2-trifluoro-2-methoxyethane

C3H3Br2F3O — CID 15921675

IUPAC1,1-dibromo-1,2,2-trifluoro-2-methoxyethane
SMILESCOC(F)(F)C(F)(Br)Br
InChIInChI=1S/C3H3Br2F3O/c1-9-3(7,8)2(4,5)6/h1H3
InChIKeyLFRJYXGPHIALCS-UHFFFAOYSA-N
MW271.86 g/mol
LogP2.64
Rot. Bonds2

About 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane

1,1-dibromo-1,2,2-trifluoro-2-methoxyethane (PubChem CID 15921675) has the molecular formula C3H3Br2F3O and a molecular weight of 271.86 g/mol. Its IUPAC name is 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane.

Molecular Properties

Compound Name1,1-dibromo-1,2,2-trifluoro-2-methoxyethane
PubChem CID15921675
Molecular FormulaC3H3Br2F3O
Molecular Weight271.86 g/mol
Exact Mass269.85
IUPAC Name1,1-dibromo-1,2,2-trifluoro-2-methoxyethane
SMILESCOC(F)(F)C(F)(Br)Br
InChIInChI=1S/C3H3Br2F3O/c1-9-3(7,8)2(4,5)6/h1H3
InChIKeyLFRJYXGPHIALCS-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 52.64
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 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane?
The IUPAC name of 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane (CID 15921675) is 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane.
What is the SMILES notation for 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane?
The canonical SMILES for 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane is COC(F)(F)C(F)(Br)Br.
What is the InChIKey of 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane?
The InChIKey is LFRJYXGPHIALCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Br2F3O/c1-9-3(7,8)2(4,5)6/h1H3.
What are the key properties of 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane?
1,1-dibromo-1,2,2-trifluoro-2-methoxyethane has a molecular weight of 271.86 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1,2,2-trifluoro-2-methoxyethane is sourced from PubChem (CID 15921675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).