[acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate

C6H6F6O5Si — CID 87192273

IUPAC[acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O5Si/c1-3(13)15-18(6(10,11)12,16-4(2)14)17-5(7,8)9/h1-2H3
InChIKeyVWSSOSNEVCYPDH-UHFFFAOYSA-N
MW300.18 g/mol
LogP1.69
Rot. Bonds3

About [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate

[acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate (PubChem CID 87192273) has the molecular formula C6H6F6O5Si and a molecular weight of 300.18 g/mol. Its IUPAC name is [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate
PubChem CID87192273
Molecular FormulaC6H6F6O5Si
Molecular Weight300.18 g/mol
Exact Mass299.99
IUPAC Name[acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O5Si/c1-3(13)15-18(6(10,11)12,16-4(2)14)17-5(7,8)9/h1-2H3
InChIKeyVWSSOSNEVCYPDH-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate?
The IUPAC name of [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate (CID 87192273) is [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate.
What is the SMILES notation for [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate?
The canonical SMILES for [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate is CC(=O)O[Si](OC(C)=O)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate?
The InChIKey is VWSSOSNEVCYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O5Si/c1-3(13)15-18(6(10,11)12,16-4(2)14)17-5(7,8)9/h1-2H3.
What are the key properties of [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate?
[acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate has a molecular weight of 300.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(trifluoromethoxy)-(trifluoromethyl)silyl] acetate is sourced from PubChem (CID 87192273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).