[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid

C13H10BF3O2 — CID 175107537

IUPAC[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C13H10BF3O2/c15-13(16,17)12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H
InChIKeyRJWIJXOEQNDKSO-UHFFFAOYSA-N
MW266.03 g/mol
LogP2.05
Rot. Bonds2

About [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid

[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid (PubChem CID 175107537) has the molecular formula C13H10BF3O2 and a molecular weight of 266.03 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid
PubChem CID175107537
Molecular FormulaC13H10BF3O2
Molecular Weight266.03 g/mol
Exact Mass266.07
IUPAC Name[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C13H10BF3O2/c15-13(16,17)12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H
InChIKeyRJWIJXOEQNDKSO-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.03
LogP ≤ 52.05
H-Bond Donors ≤ 52
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-[2-(trifluoromethyl)phenyl]phenyl]boronic acid?
The IUPAC name of [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid (CID 175107537) is [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid.
What is the SMILES notation for [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid?
The canonical SMILES for [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid is OB(O)c1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid?
The InChIKey is RJWIJXOEQNDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BF3O2/c15-13(16,17)12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H.
What are the key properties of [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid?
[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid has a molecular weight of 266.03 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid is sourced from PubChem (CID 175107537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).