benzyl-bis(trifluoromethyl)borane

C9H7BF6 — CID 101101375

IUPACbenzyl-bis(trifluoromethyl)borane
SMILESFC(F)(F)B(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7BF6/c11-8(12,13)10(9(14,15)16)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyCJBMFRVDBUCJAC-UHFFFAOYSA-N
MW239.96 g/mol
LogP3.47
Rot. Bonds2

About benzyl-bis(trifluoromethyl)borane

benzyl-bis(trifluoromethyl)borane (PubChem CID 101101375) has the molecular formula C9H7BF6 and a molecular weight of 239.96 g/mol. Its IUPAC name is benzyl-bis(trifluoromethyl)borane.

Molecular Properties

Compound Namebenzyl-bis(trifluoromethyl)borane
PubChem CID101101375
Molecular FormulaC9H7BF6
Molecular Weight239.96 g/mol
Exact Mass240.05
IUPAC Namebenzyl-bis(trifluoromethyl)borane
SMILESFC(F)(F)B(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H7BF6/c11-8(12,13)10(9(14,15)16)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyCJBMFRVDBUCJAC-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 53.47
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 benzyl-bis(trifluoromethyl)borane?
The IUPAC name of benzyl-bis(trifluoromethyl)borane (CID 101101375) is benzyl-bis(trifluoromethyl)borane.
What is the SMILES notation for benzyl-bis(trifluoromethyl)borane?
The canonical SMILES for benzyl-bis(trifluoromethyl)borane is FC(F)(F)B(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of benzyl-bis(trifluoromethyl)borane?
The InChIKey is CJBMFRVDBUCJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BF6/c11-8(12,13)10(9(14,15)16)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of benzyl-bis(trifluoromethyl)borane?
benzyl-bis(trifluoromethyl)borane has a molecular weight of 239.96 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(trifluoromethyl)borane is sourced from PubChem (CID 101101375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).