fluoro-bis[3-(trifluoromethyl)phenyl]borane

C14H8BF7 — CID 71345688

IUPACfluoro-bis[3-(trifluoromethyl)phenyl]borane
SMILESFB(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8BF7/c16-13(17,18)9-3-1-5-11(7-9)15(22)12-6-2-4-10(8-12)14(19,20)21/h1-8H
InChIKeyQXFDAWGAJCRTNC-UHFFFAOYSA-N
MW320.02 g/mol
LogP3.80
Rot. Bonds2

About fluoro-bis[3-(trifluoromethyl)phenyl]borane

fluoro-bis[3-(trifluoromethyl)phenyl]borane (PubChem CID 71345688) has the molecular formula C14H8BF7 and a molecular weight of 320.02 g/mol. Its IUPAC name is fluoro-bis[3-(trifluoromethyl)phenyl]borane.

Molecular Properties

Compound Namefluoro-bis[3-(trifluoromethyl)phenyl]borane
PubChem CID71345688
Molecular FormulaC14H8BF7
Molecular Weight320.02 g/mol
Exact Mass320.06
IUPAC Namefluoro-bis[3-(trifluoromethyl)phenyl]borane
SMILESFB(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8BF7/c16-13(17,18)9-3-1-5-11(7-9)15(22)12-6-2-4-10(8-12)14(19,20)21/h1-8H
InChIKeyQXFDAWGAJCRTNC-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 fluoro-bis[3-(trifluoromethyl)phenyl]borane?
The IUPAC name of fluoro-bis[3-(trifluoromethyl)phenyl]borane (CID 71345688) is fluoro-bis[3-(trifluoromethyl)phenyl]borane.
What is the SMILES notation for fluoro-bis[3-(trifluoromethyl)phenyl]borane?
The canonical SMILES for fluoro-bis[3-(trifluoromethyl)phenyl]borane is FB(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of fluoro-bis[3-(trifluoromethyl)phenyl]borane?
The InChIKey is QXFDAWGAJCRTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BF7/c16-13(17,18)9-3-1-5-11(7-9)15(22)12-6-2-4-10(8-12)14(19,20)21/h1-8H.
What are the key properties of fluoro-bis[3-(trifluoromethyl)phenyl]borane?
fluoro-bis[3-(trifluoromethyl)phenyl]borane has a molecular weight of 320.02 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-bis[3-(trifluoromethyl)phenyl]borane is sourced from PubChem (CID 71345688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).