(8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid

C10H8BFO3 — CID 175338893

IUPAC(8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid
SMILESOB(O)c1cc(O)cc2cccc(F)c12
InChIInChI=1S/C10H8BFO3/c12-9-3-1-2-6-4-7(13)5-8(10(6)9)11(14)15/h1-5,13-15H
InChIKeyCOYWBMGWUNGLJE-UHFFFAOYSA-N
MW205.98 g/mol
LogP0.36
Rot. Bonds1

About (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid

(8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid (PubChem CID 175338893) has the molecular formula C10H8BFO3 and a molecular weight of 205.98 g/mol. Its IUPAC name is (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid
PubChem CID175338893
Molecular FormulaC10H8BFO3
Molecular Weight205.98 g/mol
Exact Mass206.06
IUPAC Name(8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid
SMILESOB(O)c1cc(O)cc2cccc(F)c12
InChIInChI=1S/C10H8BFO3/c12-9-3-1-2-6-4-7(13)5-8(10(6)9)11(14)15/h1-5,13-15H
InChIKeyCOYWBMGWUNGLJE-UHFFFAOYSA-N
XLogP0.36
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.98
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-hydroxynaphthalene-2-carboxylic acid
CID 105458353
1,8-difluoro-3-methylnaphthalene
CID 138605074
(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid
CID 141134656
4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol
CID 169009511
(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
CID 67115134
5-chloro-4-methylnaphthalen-2-ol;ethane
CID 162765839
8-fluoro-1-methylisoquinolin-3-amine
CID 53419053
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol
CID 10490347
4-(4-chlorophenyl)-5-methoxynaphthalen-2-ol
CID 134845292
4,21-difluoro-9-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 23236126
8-fluoro-1-methyl-2H-isoquinolin-3-one
CID 166535895
4-methyl-5-propan-2-ylnaphthalen-2-ol
CID 167179698

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid?
The IUPAC name of (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid (CID 175338893) is (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid.
What is the SMILES notation for (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid?
The canonical SMILES for (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid is OB(O)c1cc(O)cc2cccc(F)c12.
What is the InChIKey of (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid?
The InChIKey is COYWBMGWUNGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BFO3/c12-9-3-1-2-6-4-7(13)5-8(10(6)9)11(14)15/h1-5,13-15H.
What are the key properties of (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid?
(8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid has a molecular weight of 205.98 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-3-hydroxynaphthalen-1-yl)boronic acid is sourced from PubChem (CID 175338893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).