CID 22460146

C18H32BF3O3S- — CID 22460146

IUPAC—
SMILESO=S(=O)([O-])C(F)(F)F.[B]1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C17H32B.CHF3O3S/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17;2-1(3,4)8(5,6)7/h16-17H,1-15H2;(H,5,6,7)/p-1
InChIKeyXQTSTJRYFNNGNU-UHFFFAOYSA-M
MW396.32 g/mol
LogP6.05
Rot. Bonds1

About CID 22460146

CID 22460146 (PubChem CID 22460146) has the molecular formula C18H32BF3O3S- and a molecular weight of 396.32 g/mol.

Molecular Properties

Compound NameCID 22460146
PubChem CID22460146
Molecular FormulaC18H32BF3O3S-
Molecular Weight396.32 g/mol
Exact Mass396.21
IUPAC Name—
SMILESO=S(=O)([O-])C(F)(F)F.[B]1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C17H32B.CHF3O3S/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17;2-1(3,4)8(5,6)7/h16-17H,1-15H2;(H,5,6,7)/p-1
InChIKeyXQTSTJRYFNNGNU-UHFFFAOYSA-M
XLogP6.05
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl(methyl)sulfanium;trifluoromethanesulfonate
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CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
cyclohexylcyclohexane;sulfuric acid
CID 67093853
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl(difluoro)methanesulfonate
CID 59660390
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699

Frequently Asked Questions

What is the IUPAC name of CID 22460146?
The IUPAC name of CID 22460146 (CID 22460146) is not available.
What is the SMILES notation for CID 22460146?
The canonical SMILES for CID 22460146 is O=S(=O)([O-])C(F)(F)F.[B]1CCCCCCCC1C1CCCCCCCC1.
What is the InChIKey of CID 22460146?
The InChIKey is XQTSTJRYFNNGNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H32B.CHF3O3S/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17;2-1(3,4)8(5,6)7/h16-17H,1-15H2;(H,5,6,7)/p-1.
What are the key properties of CID 22460146?
CID 22460146 has a molecular weight of 396.32 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22460146 is sourced from PubChem (CID 22460146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).