CID 15111591

C9H18F3O3SSi — CID 15111591

IUPAC—
SMILESCC(C)(C)[Si](OS(=O)(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H18F3O3SSi/c1-7(2,3)17(8(4,5)6)15-16(13,14)9(10,11)12/h1-6H3
InChIKeySSFVKAJRQPUJJY-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.44
Rot. Bonds2

About CID 15111591

CID 15111591 (PubChem CID 15111591) has the molecular formula C9H18F3O3SSi and a molecular weight of 291.39 g/mol.

Molecular Properties

Compound NameCID 15111591
PubChem CID15111591
Molecular FormulaC9H18F3O3SSi
Molecular Weight291.39 g/mol
Exact Mass291.07
IUPAC Name—
SMILESCC(C)(C)[Si](OS(=O)(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H18F3O3SSi/c1-7(2,3)17(8(4,5)6)15-16(13,14)9(10,11)12/h1-6H3
InChIKeySSFVKAJRQPUJJY-UHFFFAOYSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Trifluoromethanesulfonyloxy)dimethylsilane
CID 11828587
CID 14905181
CID 14905181
CID 101386423
CID 101386423
tert-butyl trifluoromethanesulfonate;copper
CID 175096484
(1-cyclopentyl-1-fluoroethyl) trifluoromethanesulfonate
CID 87647961
2-(trifluoromethylsulfonyloxy)propan-2-ylphosphonic acid
CID 19427720
copper;methyl trifluoromethanesulfonate
CID 174775711
methyl trifluoromethanesulfonate;silver
CID 174859792
methoxy trifluoromethanesulfonate
CID 87224753
CID 86627681
CID 86627681
(1,3-difluoro-2-methylpropan-2-yl) trifluoromethanesulfonate
CID 86615366
(2,3-difluoro-2,3-dimethylbutyl) trifluoromethanesulfonate
CID 139022830

Frequently Asked Questions

What is the IUPAC name of CID 15111591?
The IUPAC name of CID 15111591 (CID 15111591) is not available.
What is the SMILES notation for CID 15111591?
The canonical SMILES for CID 15111591 is CC(C)(C)[Si](OS(=O)(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of CID 15111591?
The InChIKey is SSFVKAJRQPUJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3O3SSi/c1-7(2,3)17(8(4,5)6)15-16(13,14)9(10,11)12/h1-6H3.
What are the key properties of CID 15111591?
CID 15111591 has a molecular weight of 291.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15111591 is sourced from PubChem (CID 15111591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).