boric acid;tetrakis(1-fluoro-4-phenylbenzene)

C48H39BF4O3 — CID 22465103

IUPACboric acid;tetrakis(1-fluoro-4-phenylbenzene)
SMILESFc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.OB(O)O
InChIInChI=1S/4C12H9F.BH3O3/c4*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2-1(3)4/h4*1-9H;2-4H
InChIKeyHAXBXVPGEULXDH-UHFFFAOYSA-N
MW750.64 g/mol
LogP11.92
Rot. Bonds4

About boric acid;tetrakis(1-fluoro-4-phenylbenzene)

boric acid;tetrakis(1-fluoro-4-phenylbenzene) (PubChem CID 22465103) has the molecular formula C48H39BF4O3 and a molecular weight of 750.64 g/mol. Its IUPAC name is boric acid;tetrakis(1-fluoro-4-phenylbenzene).

Molecular Properties

Compound Nameboric acid;tetrakis(1-fluoro-4-phenylbenzene)
PubChem CID22465103
Molecular FormulaC48H39BF4O3
Molecular Weight750.64 g/mol
Exact Mass750.29
IUPAC Nameboric acid;tetrakis(1-fluoro-4-phenylbenzene)
SMILESFc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.OB(O)O
InChIInChI=1S/4C12H9F.BH3O3/c4*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2-1(3)4/h4*1-9H;2-4H
InChIKeyHAXBXVPGEULXDH-UHFFFAOYSA-N
XLogP11.92
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.64
LogP ≤ 511.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 boric acid;tetrakis(1-fluoro-4-phenylbenzene)?
The IUPAC name of boric acid;tetrakis(1-fluoro-4-phenylbenzene) (CID 22465103) is boric acid;tetrakis(1-fluoro-4-phenylbenzene).
What is the SMILES notation for boric acid;tetrakis(1-fluoro-4-phenylbenzene)?
The canonical SMILES for boric acid;tetrakis(1-fluoro-4-phenylbenzene) is Fc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.Fc1ccc(-c2ccccc2)cc1.OB(O)O.
What is the InChIKey of boric acid;tetrakis(1-fluoro-4-phenylbenzene)?
The InChIKey is HAXBXVPGEULXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H9F.BH3O3/c4*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2-1(3)4/h4*1-9H;2-4H.
What are the key properties of boric acid;tetrakis(1-fluoro-4-phenylbenzene)?
boric acid;tetrakis(1-fluoro-4-phenylbenzene) has a molecular weight of 750.64 g/mol, XLogP of 11.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tetrakis(1-fluoro-4-phenylbenzene) is sourced from PubChem (CID 22465103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).