[3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid

C8H10BFO3 — CID 164894819

IUPAC[3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid
SMILESCC(O)c1ccc(B(O)O)cc1F
InChIInChI=1S/C8H10BFO3/c1-5(11)7-3-2-6(9(12)13)4-8(7)10/h2-5,11-13H,1H3
InChIKeyMOKVNSMLOZAACD-UHFFFAOYSA-N
MW183.97 g/mol
LogP-0.44
Rot. Bonds2

About [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid

[3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid (PubChem CID 164894819) has the molecular formula C8H10BFO3 and a molecular weight of 183.97 g/mol. Its IUPAC name is [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid
PubChem CID164894819
Molecular FormulaC8H10BFO3
Molecular Weight183.97 g/mol
Exact Mass184.07
IUPAC Name[3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid
SMILESCC(O)c1ccc(B(O)O)cc1F
InChIInChI=1S/C8H10BFO3/c1-5(11)7-3-2-6(9(12)13)4-8(7)10/h2-5,11-13H,1H3
InChIKeyMOKVNSMLOZAACD-UHFFFAOYSA-N
XLogP-0.44
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.97
LogP ≤ 5-0.44
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 [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid?
The IUPAC name of [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid (CID 164894819) is [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid.
What is the SMILES notation for [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid?
The canonical SMILES for [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid is CC(O)c1ccc(B(O)O)cc1F.
What is the InChIKey of [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid?
The InChIKey is MOKVNSMLOZAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFO3/c1-5(11)7-3-2-6(9(12)13)4-8(7)10/h2-5,11-13H,1H3.
What are the key properties of [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid?
[3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid has a molecular weight of 183.97 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid is sourced from PubChem (CID 164894819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).