(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane

C8H14BrFO — CID 122450263

IUPAC(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](Br)C(C)(F)[C@H]1C
InChIInChI=1S/C8H14BrFO/c1-4-6-5(2)8(3,10)7(9)11-6/h5-7H,4H2,1-3H3/t5-,6+,7+,8?/m0/s1
InChIKeyOELVOSMKNQXLOZ-FWYCZPIQSA-N
MW225.10 g/mol
LogP2.88
Rot. Bonds1

About (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane

(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane (PubChem CID 122450263) has the molecular formula C8H14BrFO and a molecular weight of 225.10 g/mol. Its IUPAC name is (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane.

Molecular Properties

Compound Name(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
PubChem CID122450263
Molecular FormulaC8H14BrFO
Molecular Weight225.10 g/mol
Exact Mass224.02
IUPAC Name(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](Br)C(C)(F)[C@H]1C
InChIInChI=1S/C8H14BrFO/c1-4-6-5(2)8(3,10)7(9)11-6/h5-7H,4H2,1-3H3/t5-,6+,7+,8?/m0/s1
InChIKeyOELVOSMKNQXLOZ-FWYCZPIQSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.88
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 (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane?
The IUPAC name of (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane (CID 122450263) is (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane.
What is the SMILES notation for (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane?
The canonical SMILES for (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane is CC[C@H]1O[C@@H](Br)C(C)(F)[C@H]1C.
What is the InChIKey of (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane?
The InChIKey is OELVOSMKNQXLOZ-FWYCZPIQSA-N. The full InChI is InChI=1S/C8H14BrFO/c1-4-6-5(2)8(3,10)7(9)11-6/h5-7H,4H2,1-3H3/t5-,6+,7+,8?/m0/s1.
What are the key properties of (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane?
(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane has a molecular weight of 225.10 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane is sourced from PubChem (CID 122450263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).