[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid

C11H14BFO4 — CID 99773305

IUPAC[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
SMILESOB(O)c1cc(F)ccc1OC[C@@H]1CCOC1
InChIInChI=1S/C11H14BFO4/c13-9-1-2-11(10(5-9)12(14)15)17-7-8-3-4-16-6-8/h1-2,5,8,14-15H,3-4,6-7H2/t8-/m1/s1
InChIKeyISHHPIKLPAYAEH-MRVPVSSYSA-N
MW240.04 g/mol
LogP-0.08
Rot. Bonds4

About [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid

[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid (PubChem CID 99773305) has the molecular formula C11H14BFO4 and a molecular weight of 240.04 g/mol. Its IUPAC name is [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
PubChem CID99773305
Molecular FormulaC11H14BFO4
Molecular Weight240.04 g/mol
Exact Mass240.10
IUPAC Name[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
SMILESOB(O)c1cc(F)ccc1OC[C@@H]1CCOC1
InChIInChI=1S/C11H14BFO4/c13-9-1-2-11(10(5-9)12(14)15)17-7-8-3-4-16-6-8/h1-2,5,8,14-15H,3-4,6-7H2/t8-/m1/s1
InChIKeyISHHPIKLPAYAEH-MRVPVSSYSA-N
XLogP-0.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
[2-(cyclopropylmethoxymethoxy)-5-fluorophenyl]boronic acid
CID 106929966
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
5-fluoro-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 63667463
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
[5-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]boronic acid
CID 102898830
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid?
The IUPAC name of [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid (CID 99773305) is [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid.
What is the SMILES notation for [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid?
The canonical SMILES for [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid is OB(O)c1cc(F)ccc1OC[C@@H]1CCOC1.
What is the InChIKey of [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid?
The InChIKey is ISHHPIKLPAYAEH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BFO4/c13-9-1-2-11(10(5-9)12(14)15)17-7-8-3-4-16-6-8/h1-2,5,8,14-15H,3-4,6-7H2/t8-/m1/s1.
What are the key properties of [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid?
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid has a molecular weight of 240.04 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid is sourced from PubChem (CID 99773305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).