4-fluoro-1-hydroxy-3H-2,1-benzoxaborole

C7H6BFO2 — CID 11845753

IUPAC4-fluoro-1-hydroxy-3H-2,1-benzoxaborole
SMILESOB1OCc2c(F)cccc21
InChIInChI=1S/C7H6BFO2/c9-7-3-1-2-6-5(7)4-11-8(6)10/h1-3,10H,4H2
InChIKeyWBKLSDSNRDYOJN-UHFFFAOYSA-N
MW151.93 g/mol
LogP0.04
Rot. Bonds

About 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole

4-fluoro-1-hydroxy-3H-2,1-benzoxaborole (PubChem CID 11845753) has the molecular formula C7H6BFO2 and a molecular weight of 151.93 g/mol. Its IUPAC name is 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole.

Molecular Properties

Compound Name4-fluoro-1-hydroxy-3H-2,1-benzoxaborole
PubChem CID11845753
Molecular FormulaC7H6BFO2
Molecular Weight151.93 g/mol
Exact Mass152.04
IUPAC Name4-fluoro-1-hydroxy-3H-2,1-benzoxaborole
SMILESOB1OCc2c(F)cccc21
InChIInChI=1S/C7H6BFO2/c9-7-3-1-2-6-5(7)4-11-8(6)10/h1-3,10H,4H2
InChIKeyWBKLSDSNRDYOJN-UHFFFAOYSA-N
XLogP0.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.93
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole?
The IUPAC name of 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole (CID 11845753) is 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole.
What is the SMILES notation for 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole?
The canonical SMILES for 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole is OB1OCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole?
The InChIKey is WBKLSDSNRDYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFO2/c9-7-3-1-2-6-5(7)4-11-8(6)10/h1-3,10H,4H2.
What are the key properties of 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole?
4-fluoro-1-hydroxy-3H-2,1-benzoxaborole has a molecular weight of 151.93 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hydroxy-3H-2,1-benzoxaborole is sourced from PubChem (CID 11845753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).