fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid

C7H5BF4O2 — CID 174717954

IUPACfluorooxy-[4-(trifluoromethyl)phenyl]borinic acid
SMILESOB(OF)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H5BF4O2/c9-7(10,11)5-1-3-6(4-2-5)8(13)14-12/h1-4,13H
InChIKeyAWMYTJYYLFPTRR-UHFFFAOYSA-N
MW207.92 g/mol
LogP1.29
Rot. Bonds2

About fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid

fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid (PubChem CID 174717954) has the molecular formula C7H5BF4O2 and a molecular weight of 207.92 g/mol. Its IUPAC name is fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid.

Molecular Properties

Compound Namefluorooxy-[4-(trifluoromethyl)phenyl]borinic acid
PubChem CID174717954
Molecular FormulaC7H5BF4O2
Molecular Weight207.92 g/mol
Exact Mass208.03
IUPAC Namefluorooxy-[4-(trifluoromethyl)phenyl]borinic acid
SMILESOB(OF)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H5BF4O2/c9-7(10,11)5-1-3-6(4-2-5)8(13)14-12/h1-4,13H
InChIKeyAWMYTJYYLFPTRR-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.92
LogP ≤ 51.29
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 fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid?
The IUPAC name of fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid (CID 174717954) is fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid.
What is the SMILES notation for fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid?
The canonical SMILES for fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid is OB(OF)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid?
The InChIKey is AWMYTJYYLFPTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF4O2/c9-7(10,11)5-1-3-6(4-2-5)8(13)14-12/h1-4,13H.
What are the key properties of fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid?
fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid has a molecular weight of 207.92 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid is sourced from PubChem (CID 174717954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).