5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole

C11H8BFO2 — CID 11845746

IUPAC5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole
SMILESFc1ccc2c(c1)COB2c1ccoc1
InChIInChI=1S/C11H8BFO2/c13-10-1-2-11-8(5-10)6-15-12(11)9-3-4-14-7-9/h1-5,7H,6H2
InChIKeyFFGFXTUHVJRIFJ-UHFFFAOYSA-N
MW201.99 g/mol
LogP1.05
Rot. Bonds1

About 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole

5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole (PubChem CID 11845746) has the molecular formula C11H8BFO2 and a molecular weight of 201.99 g/mol. Its IUPAC name is 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole.

Molecular Properties

Compound Name5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole
PubChem CID11845746
Molecular FormulaC11H8BFO2
Molecular Weight201.99 g/mol
Exact Mass202.06
IUPAC Name5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole
SMILESFc1ccc2c(c1)COB2c1ccoc1
InChIInChI=1S/C11H8BFO2/c13-10-1-2-11-8(5-10)6-15-12(11)9-3-4-14-7-9/h1-5,7H,6H2
InChIKeyFFGFXTUHVJRIFJ-UHFFFAOYSA-N
XLogP1.05
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.99
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]methanamine
CID 11424997
[3-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]methanol
CID 59855526
1-(2,4-dimethoxyphenyl)-5-fluoro-3H-2,1-benzoxaborole
CID 24831026
5-fluoro-1-(2-methoxy-5-methylphenyl)-3H-2,1-benzoxaborole
CID 24831187
1-(1-benzothiophen-3-yl)-5-fluoro-3H-2,1-benzoxaborole
CID 59008805
1-butoxy-5-fluoro-3H-2,1-benzoxaborole
CID 90324234
5-chloro-1-methyl-3H-2,1-benzoxaborole;5-fluoro-1-methyl-3H-2,1-benzoxaborole;1-methyl-3H-2,1-benzoxaborole
CID 161115206
5-fluoro-1-hydroxy-3H-2,1-benzoxaborole;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
CID 159108959
3-(3-fluorophenyl)furan
CID 58166115
5-fluoro-1-methyl-3H-2,1-benzoxazole
CID 175342122
3-(7-fluoro-3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)pyrrolidine
CID 115062957
2-(3H-2,1-benzoxaborol-1-yl)-5-chlorophenol
CID 59855523

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole?
The IUPAC name of 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole (CID 11845746) is 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole.
What is the SMILES notation for 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole?
The canonical SMILES for 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole is Fc1ccc2c(c1)COB2c1ccoc1.
What is the InChIKey of 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole?
The InChIKey is FFGFXTUHVJRIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BFO2/c13-10-1-2-11-8(5-10)6-15-12(11)9-3-4-14-7-9/h1-5,7H,6H2.
What are the key properties of 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole?
5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole has a molecular weight of 201.99 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole is sourced from PubChem (CID 11845746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).