dibutyl(trifluoromethylsulfonyl)borane

C9H18BF3O2S — CID 11288370

IUPACdibutyl(trifluoromethylsulfonyl)borane
SMILESCCCCB(CCCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H18BF3O2S/c1-3-5-7-10(8-6-4-2)16(14,15)9(11,12)13/h3-8H2,1-2H3
InChIKeyXLWBLNXVBMHSJO-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.51
Rot. Bonds7

About dibutyl(trifluoromethylsulfonyl)borane

dibutyl(trifluoromethylsulfonyl)borane (PubChem CID 11288370) has the molecular formula C9H18BF3O2S and a molecular weight of 258.11 g/mol. Its IUPAC name is dibutyl(trifluoromethylsulfonyl)borane.

Molecular Properties

Compound Namedibutyl(trifluoromethylsulfonyl)borane
PubChem CID11288370
Molecular FormulaC9H18BF3O2S
Molecular Weight258.11 g/mol
Exact Mass258.11
IUPAC Namedibutyl(trifluoromethylsulfonyl)borane
SMILESCCCCB(CCCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H18BF3O2S/c1-3-5-7-10(8-6-4-2)16(14,15)9(11,12)13/h3-8H2,1-2H3
InChIKeyXLWBLNXVBMHSJO-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributylborane;trifluoromethanesulfonic acid
CID 19887929
tricosane;trifluoromethanesulfonic acid
CID 161255361
dibutyl(trifluoromethyl)borane
CID 19046335
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
1-iodopentane;trifluoromethanesulfonic acid
CID 174771311
2-fluorohexane-2-sulfonic acid
CID 147161475
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
ethanesulfonic acid;pentane
CID 174496196
sulfuric acid;tridecane
CID 91872702
pentane;2,2,2-trifluoroacetic acid
CID 161039566

Frequently Asked Questions

What is the IUPAC name of dibutyl(trifluoromethylsulfonyl)borane?
The IUPAC name of dibutyl(trifluoromethylsulfonyl)borane (CID 11288370) is dibutyl(trifluoromethylsulfonyl)borane.
What is the SMILES notation for dibutyl(trifluoromethylsulfonyl)borane?
The canonical SMILES for dibutyl(trifluoromethylsulfonyl)borane is CCCCB(CCCC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of dibutyl(trifluoromethylsulfonyl)borane?
The InChIKey is XLWBLNXVBMHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3O2S/c1-3-5-7-10(8-6-4-2)16(14,15)9(11,12)13/h3-8H2,1-2H3.
What are the key properties of dibutyl(trifluoromethylsulfonyl)borane?
dibutyl(trifluoromethylsulfonyl)borane has a molecular weight of 258.11 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(trifluoromethylsulfonyl)borane is sourced from PubChem (CID 11288370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).