fluoromethyl(diphenyl)borane

C13H12BF — CID 67927047

IUPACfluoromethyl(diphenyl)borane
SMILESFCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12BF/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLXIHBNFDPMUXNO-UHFFFAOYSA-N
MW198.05 g/mol
LogP1.80
Rot. Bonds3

About fluoromethyl(diphenyl)borane

fluoromethyl(diphenyl)borane (PubChem CID 67927047) has the molecular formula C13H12BF and a molecular weight of 198.05 g/mol. Its IUPAC name is fluoromethyl(diphenyl)borane.

Molecular Properties

Compound Namefluoromethyl(diphenyl)borane
PubChem CID67927047
Molecular FormulaC13H12BF
Molecular Weight198.05 g/mol
Exact Mass198.10
IUPAC Namefluoromethyl(diphenyl)borane
SMILESFCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12BF/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLXIHBNFDPMUXNO-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 51.80
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 fluoromethyl(diphenyl)borane?
The IUPAC name of fluoromethyl(diphenyl)borane (CID 67927047) is fluoromethyl(diphenyl)borane.
What is the SMILES notation for fluoromethyl(diphenyl)borane?
The canonical SMILES for fluoromethyl(diphenyl)borane is FCB(c1ccccc1)c1ccccc1.
What is the InChIKey of fluoromethyl(diphenyl)borane?
The InChIKey is LXIHBNFDPMUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BF/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of fluoromethyl(diphenyl)borane?
fluoromethyl(diphenyl)borane has a molecular weight of 198.05 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl(diphenyl)borane is sourced from PubChem (CID 67927047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).