[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite

C6H2BF5O2 — CID 53402040

IUPAC[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite
SMILESFOB(OF)c1ccc(F)c(F)c1F
InChIInChI=1S/C6H2BF5O2/c8-4-2-1-3(5(9)6(4)10)7(13-11)14-12/h1-2H
InChIKeyQSOULTXABREHAT-UHFFFAOYSA-N
MW211.88 g/mol
LogP1.60
Rot. Bonds3

About [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite

[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite (PubChem CID 53402040) has the molecular formula C6H2BF5O2 and a molecular weight of 211.88 g/mol. Its IUPAC name is [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite.

Molecular Properties

Compound Name[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite
PubChem CID53402040
Molecular FormulaC6H2BF5O2
Molecular Weight211.88 g/mol
Exact Mass212.01
IUPAC Name[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite
SMILESFOB(OF)c1ccc(F)c(F)c1F
InChIInChI=1S/C6H2BF5O2/c8-4-2-1-3(5(9)6(4)10)7(13-11)14-12/h1-2H
InChIKeyQSOULTXABREHAT-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.88
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite?
The IUPAC name of [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite (CID 53402040) is [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite.
What is the SMILES notation for [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite?
The canonical SMILES for [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite is FOB(OF)c1ccc(F)c(F)c1F.
What is the InChIKey of [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite?
The InChIKey is QSOULTXABREHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BF5O2/c8-4-2-1-3(5(9)6(4)10)7(13-11)14-12/h1-2H.
What are the key properties of [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite?
[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite has a molecular weight of 211.88 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite is sourced from PubChem (CID 53402040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).