difluoro(2-phenylethynyl)borane

C8H5BF2 — CID 86227130

IUPACdifluoro(2-phenylethynyl)borane
SMILESFB(F)C#Cc1ccccc1
InChIInChI=1S/C8H5BF2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H
InChIKeyWLRBXBXZJIASEN-UHFFFAOYSA-N
MW149.94 g/mol
LogP2.00
Rot. Bonds

About difluoro(2-phenylethynyl)borane

difluoro(2-phenylethynyl)borane (PubChem CID 86227130) has the molecular formula C8H5BF2 and a molecular weight of 149.94 g/mol. Its IUPAC name is difluoro(2-phenylethynyl)borane.

Molecular Properties

Compound Namedifluoro(2-phenylethynyl)borane
PubChem CID86227130
Molecular FormulaC8H5BF2
Molecular Weight149.94 g/mol
Exact Mass150.05
IUPAC Namedifluoro(2-phenylethynyl)borane
SMILESFB(F)C#Cc1ccccc1
InChIInChI=1S/C8H5BF2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H
InChIKeyWLRBXBXZJIASEN-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.94
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoro(2-phenylethynyl)borane?
The IUPAC name of difluoro(2-phenylethynyl)borane (CID 86227130) is difluoro(2-phenylethynyl)borane.
What is the SMILES notation for difluoro(2-phenylethynyl)borane?
The canonical SMILES for difluoro(2-phenylethynyl)borane is FB(F)C#Cc1ccccc1.
What is the InChIKey of difluoro(2-phenylethynyl)borane?
The InChIKey is WLRBXBXZJIASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BF2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H.
What are the key properties of difluoro(2-phenylethynyl)borane?
difluoro(2-phenylethynyl)borane has a molecular weight of 149.94 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(2-phenylethynyl)borane is sourced from PubChem (CID 86227130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).