[2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid

C8H10BFO3 — CID 174010131

IUPAC[2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid
SMILESOCCc1cccc(F)c1B(O)O
InChIInChI=1S/C8H10BFO3/c10-7-3-1-2-6(4-5-11)8(7)9(12)13/h1-3,11-13H,4-5H2
InChIKeyKHBMBOTXMFZWRC-UHFFFAOYSA-N
MW183.97 g/mol
LogP-0.96
Rot. Bonds3

About [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid

[2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid (PubChem CID 174010131) has the molecular formula C8H10BFO3 and a molecular weight of 183.97 g/mol. Its IUPAC name is [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid
PubChem CID174010131
Molecular FormulaC8H10BFO3
Molecular Weight183.97 g/mol
Exact Mass184.07
IUPAC Name[2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid
SMILESOCCc1cccc(F)c1B(O)O
InChIInChI=1S/C8H10BFO3/c10-7-3-1-2-6(4-5-11)8(7)9(12)13/h1-3,11-13H,4-5H2
InChIKeyKHBMBOTXMFZWRC-UHFFFAOYSA-N
XLogP-0.96
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.97
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
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-6-(2-hydroxyethyl)phenyl]boronic acid?
The IUPAC name of [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid (CID 174010131) is [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid.
What is the SMILES notation for [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid?
The canonical SMILES for [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid is OCCc1cccc(F)c1B(O)O.
What is the InChIKey of [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid?
The InChIKey is KHBMBOTXMFZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFO3/c10-7-3-1-2-6(4-5-11)8(7)9(12)13/h1-3,11-13H,4-5H2.
What are the key properties of [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid?
[2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid has a molecular weight of 183.97 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(2-hydroxyethyl)phenyl]boronic acid is sourced from PubChem (CID 174010131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).