1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane

C6H8BrF3O — CID 66345295

IUPAC1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
SMILESFC(F)(F)COC1CC(Br)C1
InChIInChI=1S/C6H8BrF3O/c7-4-1-5(2-4)11-3-6(8,9)10/h4-5H,1-3H2
InChIKeyBPKXLDYTGOJRHS-UHFFFAOYSA-N
MW233.03 g/mol
LogP2.49
Rot. Bonds2

About 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane

1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane (PubChem CID 66345295) has the molecular formula C6H8BrF3O and a molecular weight of 233.03 g/mol. Its IUPAC name is 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane.

Molecular Properties

Compound Name1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
PubChem CID66345295
Molecular FormulaC6H8BrF3O
Molecular Weight233.03 g/mol
Exact Mass231.97
IUPAC Name1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
SMILESFC(F)(F)COC1CC(Br)C1
InChIInChI=1S/C6H8BrF3O/c7-4-1-5(2-4)11-3-6(8,9)10/h4-5H,1-3H2
InChIKeyBPKXLDYTGOJRHS-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 52.49
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-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane?
The IUPAC name of 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane (CID 66345295) is 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane.
What is the SMILES notation for 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane?
The canonical SMILES for 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane is FC(F)(F)COC1CC(Br)C1.
What is the InChIKey of 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane?
The InChIKey is BPKXLDYTGOJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF3O/c7-4-1-5(2-4)11-3-6(8,9)10/h4-5H,1-3H2.
What are the key properties of 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane?
1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane has a molecular weight of 233.03 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane is sourced from PubChem (CID 66345295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).