2-bromo-1,1,1-trifluoro-2-methoxyethane

C3H4BrF3O — CID 84733067

IUPAC2-bromo-1,1,1-trifluoro-2-methoxyethane
SMILESCOC(Br)C(F)(F)F
InChIInChI=1S/C3H4BrF3O/c1-8-2(4)3(5,6)7/h2H,1H3
InChIKeyJRCIVINDMPWPOY-UHFFFAOYSA-N
MW192.96 g/mol
LogP1.92
Rot. Bonds1

About 2-bromo-1,1,1-trifluoro-2-methoxyethane

2-bromo-1,1,1-trifluoro-2-methoxyethane (PubChem CID 84733067) has the molecular formula C3H4BrF3O and a molecular weight of 192.96 g/mol. Its IUPAC name is 2-bromo-1,1,1-trifluoro-2-methoxyethane.

Molecular Properties

Compound Name2-bromo-1,1,1-trifluoro-2-methoxyethane
PubChem CID84733067
Molecular FormulaC3H4BrF3O
Molecular Weight192.96 g/mol
Exact Mass191.94
IUPAC Name2-bromo-1,1,1-trifluoro-2-methoxyethane
SMILESCOC(Br)C(F)(F)F
InChIInChI=1S/C3H4BrF3O/c1-8-2(4)3(5,6)7/h2H,1H3
InChIKeyJRCIVINDMPWPOY-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.96
LogP ≤ 51.92
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 2-bromo-1,1,1-trifluoro-2-methoxyethane?
The IUPAC name of 2-bromo-1,1,1-trifluoro-2-methoxyethane (CID 84733067) is 2-bromo-1,1,1-trifluoro-2-methoxyethane.
What is the SMILES notation for 2-bromo-1,1,1-trifluoro-2-methoxyethane?
The canonical SMILES for 2-bromo-1,1,1-trifluoro-2-methoxyethane is COC(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-1,1,1-trifluoro-2-methoxyethane?
The InChIKey is JRCIVINDMPWPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrF3O/c1-8-2(4)3(5,6)7/h2H,1H3.
What are the key properties of 2-bromo-1,1,1-trifluoro-2-methoxyethane?
2-bromo-1,1,1-trifluoro-2-methoxyethane has a molecular weight of 192.96 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,1-trifluoro-2-methoxyethane is sourced from PubChem (CID 84733067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).