5-fluoro-1-phenyl-3H-2,1-benzoxaborole

C13H10BFO — CID 11845575

IUPAC5-fluoro-1-phenyl-3H-2,1-benzoxaborole
SMILESFc1ccc2c(c1)COB2c1ccccc1
InChIInChI=1S/C13H10BFO/c15-12-6-7-13-10(8-12)9-16-14(13)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyNTXUMJOYLDGHBR-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.46
Rot. Bonds1

About 5-fluoro-1-phenyl-3H-2,1-benzoxaborole

5-fluoro-1-phenyl-3H-2,1-benzoxaborole (PubChem CID 11845575) has the molecular formula C13H10BFO and a molecular weight of 212.03 g/mol. Its IUPAC name is 5-fluoro-1-phenyl-3H-2,1-benzoxaborole.

Molecular Properties

Compound Name5-fluoro-1-phenyl-3H-2,1-benzoxaborole
PubChem CID11845575
Molecular FormulaC13H10BFO
Molecular Weight212.03 g/mol
Exact Mass212.08
IUPAC Name5-fluoro-1-phenyl-3H-2,1-benzoxaborole
SMILESFc1ccc2c(c1)COB2c1ccccc1
InChIInChI=1S/C13H10BFO/c15-12-6-7-13-10(8-12)9-16-14(13)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyNTXUMJOYLDGHBR-UHFFFAOYSA-N
XLogP1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 11499245
CID 11499245
CID 403788
CID 403788
CID 23642211
CID 23642211
CID 11845748
CID 11845748
CID 11845749
CID 11845749
CID 11845752
CID 11845752
CID 11845753
CID 11845753
CID 11846119
CID 11846119
CID 11846116
CID 11846116
CID 11229634
CID 11229634
CID 162660560
CID 162660560
CID 11265111
CID 11265111

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenyl-3H-2,1-benzoxaborole?
The IUPAC name of 5-fluoro-1-phenyl-3H-2,1-benzoxaborole (CID 11845575) is 5-fluoro-1-phenyl-3H-2,1-benzoxaborole.
What is the SMILES notation for 5-fluoro-1-phenyl-3H-2,1-benzoxaborole?
The canonical SMILES for 5-fluoro-1-phenyl-3H-2,1-benzoxaborole is Fc1ccc2c(c1)COB2c1ccccc1.
What is the InChIKey of 5-fluoro-1-phenyl-3H-2,1-benzoxaborole?
The InChIKey is NTXUMJOYLDGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BFO/c15-12-6-7-13-10(8-12)9-16-14(13)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 5-fluoro-1-phenyl-3H-2,1-benzoxaborole?
5-fluoro-1-phenyl-3H-2,1-benzoxaborole has a molecular weight of 212.03 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-phenyl-3H-2,1-benzoxaborole is sourced from PubChem (CID 11845575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).