(4-but-2-enoxy-2,3-difluorophenyl)boronic acid

C10H11BF2O3 — CID 175240285

IUPAC(4-but-2-enoxy-2,3-difluorophenyl)boronic acid
SMILESCC=CCOc1ccc(B(O)O)c(F)c1F
InChIInChI=1S/C10H11BF2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h2-5,14-15H,6H2,1H3
InChIKeyBNYHNONOYHYNPQ-UHFFFAOYSA-N
MW228.00 g/mol
LogP0.60
Rot. Bonds4

About (4-but-2-enoxy-2,3-difluorophenyl)boronic acid

(4-but-2-enoxy-2,3-difluorophenyl)boronic acid (PubChem CID 175240285) has the molecular formula C10H11BF2O3 and a molecular weight of 228.00 g/mol. Its IUPAC name is (4-but-2-enoxy-2,3-difluorophenyl)boronic acid.

Molecular Properties

Compound Name(4-but-2-enoxy-2,3-difluorophenyl)boronic acid
PubChem CID175240285
Molecular FormulaC10H11BF2O3
Molecular Weight228.00 g/mol
Exact Mass228.08
IUPAC Name(4-but-2-enoxy-2,3-difluorophenyl)boronic acid
SMILESCC=CCOc1ccc(B(O)O)c(F)c1F
InChIInChI=1S/C10H11BF2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h2-5,14-15H,6H2,1H3
InChIKeyBNYHNONOYHYNPQ-UHFFFAOYSA-N
XLogP0.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.00
LogP ≤ 50.60
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

[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid
CID 43145388
1-[(E)-but-2-enoxy]-4-butoxy-2,3-difluorobenzene
CID 170380762
[2-[(E)-but-2-enoxy]naphthalen-1-yl]boronic acid
CID 54911168
[2,3-difluoro-4-(2-methylhexoxy)phenyl]boronic acid
CID 21477966
3-[(E)-but-2-enoxy]-2-fluoro-N-methylaniline
CID 68777440
[4-[(Z)-but-2-enoxy]phenyl]boronic acid
CID 99880540
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 134358461
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene
CID 118886029
4-[(E)-but-2-enoxy]-3-methylphenol
CID 131233289
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
CID 12072336
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
CID 126583756
1-[(E)-but-2-enoxy]-4,5-difluoro-2-methylbenzene
CID 130512826

Frequently Asked Questions

What is the IUPAC name of (4-but-2-enoxy-2,3-difluorophenyl)boronic acid?
The IUPAC name of (4-but-2-enoxy-2,3-difluorophenyl)boronic acid (CID 175240285) is (4-but-2-enoxy-2,3-difluorophenyl)boronic acid.
What is the SMILES notation for (4-but-2-enoxy-2,3-difluorophenyl)boronic acid?
The canonical SMILES for (4-but-2-enoxy-2,3-difluorophenyl)boronic acid is CC=CCOc1ccc(B(O)O)c(F)c1F.
What is the InChIKey of (4-but-2-enoxy-2,3-difluorophenyl)boronic acid?
The InChIKey is BNYHNONOYHYNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h2-5,14-15H,6H2,1H3.
What are the key properties of (4-but-2-enoxy-2,3-difluorophenyl)boronic acid?
(4-but-2-enoxy-2,3-difluorophenyl)boronic acid has a molecular weight of 228.00 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-2-enoxy-2,3-difluorophenyl)boronic acid is sourced from PubChem (CID 175240285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).