tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate

C11H21F3O4SSi — CID 87764998

IUPACtri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate
SMILESCC(C)[Si](OC(=O)C(F)(F)S(=O)(=O)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3O4SSi/c1-7(2)20(8(3)4,9(5)6)18-10(15)11(12,13)19(14,16)17/h7-9H,1-6H3
InChIKeyZAROGEPWBCFZES-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.60
Rot. Bonds6

About tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate

tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate (PubChem CID 87764998) has the molecular formula C11H21F3O4SSi and a molecular weight of 334.43 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate
PubChem CID87764998
Molecular FormulaC11H21F3O4SSi
Molecular Weight334.43 g/mol
Exact Mass334.09
IUPAC Nametri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate
SMILESCC(C)[Si](OC(=O)C(F)(F)S(=O)(=O)F)(C(C)C)C(C)C
InChIInChI=1S/C11H21F3O4SSi/c1-7(2)20(8(3)4,9(5)6)18-10(15)11(12,13)19(14,16)17/h7-9H,1-6H3
InChIKeyZAROGEPWBCFZES-UHFFFAOYSA-N
XLogP3.60
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate?
The IUPAC name of tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate (CID 87764998) is tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate.
What is the SMILES notation for tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate?
The canonical SMILES for tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate is CC(C)[Si](OC(=O)C(F)(F)S(=O)(=O)F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate?
The InChIKey is ZAROGEPWBCFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O4SSi/c1-7(2)20(8(3)4,9(5)6)18-10(15)11(12,13)19(14,16)17/h7-9H,1-6H3.
What are the key properties of tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate?
tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate has a molecular weight of 334.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate is sourced from PubChem (CID 87764998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).