[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid

C10H12BFO3 — CID 43145388

IUPAC[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid
SMILESC/C=C/COc1ccc(F)cc1B(O)O
InChIInChI=1S/C10H12BFO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h2-5,7,13-14H,6H2,1H3/b3-2+
InChIKeyDCCPELVTKPMLRK-NSCUHMNNSA-N
MW210.01 g/mol
LogP0.46
Rot. Bonds4

About [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid

[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid (PubChem CID 43145388) has the molecular formula C10H12BFO3 and a molecular weight of 210.01 g/mol. Its IUPAC name is [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid
PubChem CID43145388
Molecular FormulaC10H12BFO3
Molecular Weight210.01 g/mol
Exact Mass210.09
IUPAC Name[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid
SMILESC/C=C/COc1ccc(F)cc1B(O)O
InChIInChI=1S/C10H12BFO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h2-5,7,13-14H,6H2,1H3/b3-2+
InChIKeyDCCPELVTKPMLRK-NSCUHMNNSA-N
XLogP0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.01
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-but-2-enoxy-2,3-difluorophenyl)boronic acid
CID 175240285
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid
CID 106439016
[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648202
[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
[2-(cyclopropylmethoxymethoxy)-5-fluorophenyl]boronic acid
CID 106929966
[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
CID 65445261
[2-[(E)-but-2-enoxy]naphthalen-1-yl]boronic acid
CID 54911168
[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
CID 167729414
[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154
4-[(E)-but-2-enoxy]-3-methylphenol
CID 131233289
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid?
The IUPAC name of [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid (CID 43145388) is [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid.
What is the SMILES notation for [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid?
The canonical SMILES for [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid is C/C=C/COc1ccc(F)cc1B(O)O.
What is the InChIKey of [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid?
The InChIKey is DCCPELVTKPMLRK-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12BFO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h2-5,7,13-14H,6H2,1H3/b3-2+.
What are the key properties of [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid?
[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid has a molecular weight of 210.01 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid is sourced from PubChem (CID 43145388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).