2-bromo-2,3,3-trifluorooxolane

C4H4BrF3O — CID 23160028

IUPAC2-bromo-2,3,3-trifluorooxolane
SMILESFC1(F)CCOC1(F)Br
InChIInChI=1S/C4H4BrF3O/c5-4(8)3(6,7)1-2-9-4/h1-2H2
InChIKeySSBXQMFLPHFBKP-UHFFFAOYSA-N
MW204.97 g/mol
LogP2.06
Rot. Bonds

About 2-bromo-2,3,3-trifluorooxolane

2-bromo-2,3,3-trifluorooxolane (PubChem CID 23160028) has the molecular formula C4H4BrF3O and a molecular weight of 204.97 g/mol. Its IUPAC name is 2-bromo-2,3,3-trifluorooxolane.

Molecular Properties

Compound Name2-bromo-2,3,3-trifluorooxolane
PubChem CID23160028
Molecular FormulaC4H4BrF3O
Molecular Weight204.97 g/mol
Exact Mass203.94
IUPAC Name2-bromo-2,3,3-trifluorooxolane
SMILESFC1(F)CCOC1(F)Br
InChIInChI=1S/C4H4BrF3O/c5-4(8)3(6,7)1-2-9-4/h1-2H2
InChIKeySSBXQMFLPHFBKP-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.97
LogP ≤ 52.06
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-2,3,3-trifluorooxolane?
The IUPAC name of 2-bromo-2,3,3-trifluorooxolane (CID 23160028) is 2-bromo-2,3,3-trifluorooxolane.
What is the SMILES notation for 2-bromo-2,3,3-trifluorooxolane?
The canonical SMILES for 2-bromo-2,3,3-trifluorooxolane is FC1(F)CCOC1(F)Br.
What is the InChIKey of 2-bromo-2,3,3-trifluorooxolane?
The InChIKey is SSBXQMFLPHFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrF3O/c5-4(8)3(6,7)1-2-9-4/h1-2H2.
What are the key properties of 2-bromo-2,3,3-trifluorooxolane?
2-bromo-2,3,3-trifluorooxolane has a molecular weight of 204.97 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3,3-trifluorooxolane is sourced from PubChem (CID 23160028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).