2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane

C7H12BrFO — CID 59976757

IUPAC2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane
SMILESCCC1OC(Br)C([18F])C1C
InChIInChI=1S/C7H12BrFO/c1-3-5-4(2)6(9)7(8)10-5/h4-7H,3H2,1-2H3/i9-1
InChIKeyIGYSUUMHVBWZLI-RVRFMXCPSA-N
MW210.08 g/mol
LogP2.49
Rot. Bonds1

About 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane

2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane (PubChem CID 59976757) has the molecular formula C7H12BrFO and a molecular weight of 210.08 g/mol. Its IUPAC name is 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane.

Molecular Properties

Compound Name2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane
PubChem CID59976757
Molecular FormulaC7H12BrFO
Molecular Weight210.08 g/mol
Exact Mass209.01
IUPAC Name2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane
SMILESCCC1OC(Br)C([18F])C1C
InChIInChI=1S/C7H12BrFO/c1-3-5-4(2)6(9)7(8)10-5/h4-7H,3H2,1-2H3/i9-1
InChIKeyIGYSUUMHVBWZLI-RVRFMXCPSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
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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Related Compounds

(4R,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
CID 59426770
[(3R,4S,5S,6R)-3-acetyloxy-2-bromo-6-ethyl-5-methyloxan-4-yl] acetate
CID 157456207
[(2S,3R,4S,5R)-5-bromo-4-fluoro-3-methyloxolan-2-yl]methyl benzoate
CID 139571779
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
[(2R,3R,5S)-5-bromo-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 89374199
(5-bromo-2-ethyl-4-fluorooxolan-3-yl) benzoate
CID 20747746
CID 23594186
CID 23594186
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane?
The IUPAC name of 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane (CID 59976757) is 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane.
What is the SMILES notation for 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane?
The canonical SMILES for 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane is CCC1OC(Br)C([18F])C1C.
What is the InChIKey of 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane?
The InChIKey is IGYSUUMHVBWZLI-RVRFMXCPSA-N. The full InChI is InChI=1S/C7H12BrFO/c1-3-5-4(2)6(9)7(8)10-5/h4-7H,3H2,1-2H3/i9-1.
What are the key properties of 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane?
2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane has a molecular weight of 210.08 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethyl-3-(18F)fluoro-4-methyloxolane is sourced from PubChem (CID 59976757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).