(3S)-3-(2-bromo-5-fluorophenoxy)oxolane

C10H10BrFO2 — CID 118590561

IUPAC(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
SMILESFc1ccc(Br)c(O[C@H]2CCOC2)c1
InChIInChI=1S/C10H10BrFO2/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8H,3-4,6H2/t8-/m0/s1
InChIKeyUMZBTDKZIZOUTI-QMMMGPOBSA-N
MW261.09 g/mol
LogP2.76
Rot. Bonds2

About (3S)-3-(2-bromo-5-fluorophenoxy)oxolane

(3S)-3-(2-bromo-5-fluorophenoxy)oxolane (PubChem CID 118590561) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is (3S)-3-(2-bromo-5-fluorophenoxy)oxolane.

Molecular Properties

Compound Name(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
PubChem CID118590561
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
SMILESFc1ccc(Br)c(O[C@H]2CCOC2)c1
InChIInChI=1S/C10H10BrFO2/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8H,3-4,6H2/t8-/m0/s1
InChIKeyUMZBTDKZIZOUTI-QMMMGPOBSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride
CID 67300218
6-bromo-2-fluoro-3-[(3S)-oxolan-3-yl]oxybenzonitrile;sulfane
CID 163664518
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
CID 141369902
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-bromo-5-fluorophenoxy)oxolane?
The IUPAC name of (3S)-3-(2-bromo-5-fluorophenoxy)oxolane (CID 118590561) is (3S)-3-(2-bromo-5-fluorophenoxy)oxolane.
What is the SMILES notation for (3S)-3-(2-bromo-5-fluorophenoxy)oxolane?
The canonical SMILES for (3S)-3-(2-bromo-5-fluorophenoxy)oxolane is Fc1ccc(Br)c(O[C@H]2CCOC2)c1.
What is the InChIKey of (3S)-3-(2-bromo-5-fluorophenoxy)oxolane?
The InChIKey is UMZBTDKZIZOUTI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-3-(2-bromo-5-fluorophenoxy)oxolane?
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane has a molecular weight of 261.09 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-bromo-5-fluorophenoxy)oxolane is sourced from PubChem (CID 118590561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).