(2-fluoro-3-propan-2-yloxyphenyl)boronic acid

C9H12BFO3 — CID 46738972

IUPAC(2-fluoro-3-propan-2-yloxyphenyl)boronic acid
SMILESCC(C)Oc1cccc(B(O)O)c1F
InChIInChI=1S/C9H12BFO3/c1-6(2)14-8-5-3-4-7(9(8)11)10(12)13/h3-6,12-13H,1-2H3
InChIKeyCHXPLNUWFRHWDD-UHFFFAOYSA-N
MW198.00 g/mol
LogP0.29
Rot. Bonds3

About (2-fluoro-3-propan-2-yloxyphenyl)boronic acid

(2-fluoro-3-propan-2-yloxyphenyl)boronic acid (PubChem CID 46738972) has the molecular formula C9H12BFO3 and a molecular weight of 198.00 g/mol. Its IUPAC name is (2-fluoro-3-propan-2-yloxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-3-propan-2-yloxyphenyl)boronic acid
PubChem CID46738972
Molecular FormulaC9H12BFO3
Molecular Weight198.00 g/mol
Exact Mass198.09
IUPAC Name(2-fluoro-3-propan-2-yloxyphenyl)boronic acid
SMILESCC(C)Oc1cccc(B(O)O)c1F
InChIInChI=1S/C9H12BFO3/c1-6(2)14-8-5-3-4-7(9(8)11)10(12)13/h3-6,12-13H,1-2H3
InChIKeyCHXPLNUWFRHWDD-UHFFFAOYSA-N
XLogP0.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-propan-2-yloxyphenyl)boronic acid?
The IUPAC name of (2-fluoro-3-propan-2-yloxyphenyl)boronic acid (CID 46738972) is (2-fluoro-3-propan-2-yloxyphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-3-propan-2-yloxyphenyl)boronic acid?
The canonical SMILES for (2-fluoro-3-propan-2-yloxyphenyl)boronic acid is CC(C)Oc1cccc(B(O)O)c1F.
What is the InChIKey of (2-fluoro-3-propan-2-yloxyphenyl)boronic acid?
The InChIKey is CHXPLNUWFRHWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BFO3/c1-6(2)14-8-5-3-4-7(9(8)11)10(12)13/h3-6,12-13H,1-2H3.
What are the key properties of (2-fluoro-3-propan-2-yloxyphenyl)boronic acid?
(2-fluoro-3-propan-2-yloxyphenyl)boronic acid has a molecular weight of 198.00 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-propan-2-yloxyphenyl)boronic acid is sourced from PubChem (CID 46738972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).