fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate

C10H21F3O3SSi — CID 57239917

IUPACfluoro difluoro-tri(propan-2-yl)silylmethanesulfonate
SMILESCC(C)[Si](C(C)C)(C(C)C)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)10(11,12)17(14,15)16-13/h7-9H,1-6H3
InChIKeyWYQRDHXSDDCLJH-UHFFFAOYSA-N
MW306.42 g/mol
LogP4.03
Rot. Bonds6

About fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate

fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate (PubChem CID 57239917) has the molecular formula C10H21F3O3SSi and a molecular weight of 306.42 g/mol. Its IUPAC name is fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate.

Molecular Properties

Compound Namefluoro difluoro-tri(propan-2-yl)silylmethanesulfonate
PubChem CID57239917
Molecular FormulaC10H21F3O3SSi
Molecular Weight306.42 g/mol
Exact Mass306.09
IUPAC Namefluoro difluoro-tri(propan-2-yl)silylmethanesulfonate
SMILESCC(C)[Si](C(C)C)(C(C)C)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)10(11,12)17(14,15)16-13/h7-9H,1-6H3
InChIKeyWYQRDHXSDDCLJH-UHFFFAOYSA-N
XLogP4.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate?
The IUPAC name of fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate (CID 57239917) is fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate.
What is the SMILES notation for fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate?
The canonical SMILES for fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate is CC(C)[Si](C(C)C)(C(C)C)C(F)(F)S(=O)(=O)OF.
What is the InChIKey of fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate?
The InChIKey is WYQRDHXSDDCLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)10(11,12)17(14,15)16-13/h7-9H,1-6H3.
What are the key properties of fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate?
fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate has a molecular weight of 306.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro difluoro-tri(propan-2-yl)silylmethanesulfonate is sourced from PubChem (CID 57239917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).