2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one

C12H19F3O3Si — CID 54097710

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC(C1C=CC(=O)O1)C(F)(F)F
InChIInChI=1S/C12H19F3O3Si/c1-11(2,3)19(4,5)18-10(12(13,14)15)8-6-7-9(16)17-8/h6-8,10H,1-5H3
InChIKeyMYHXXPGHTPDKNX-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.42
Rot. Bonds3

About 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one

2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one (PubChem CID 54097710) has the molecular formula C12H19F3O3Si and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one
PubChem CID54097710
Molecular FormulaC12H19F3O3Si
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC(C1C=CC(=O)O1)C(F)(F)F
InChIInChI=1S/C12H19F3O3Si/c1-11(2,3)19(4,5)18-10(12(13,14)15)8-6-7-9(16)17-8/h6-8,10H,1-5H3
InChIKeyMYHXXPGHTPDKNX-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.42
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 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one (CID 54097710) is 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC(C1C=CC(=O)O1)C(F)(F)F.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one?
The InChIKey is MYHXXPGHTPDKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O3Si/c1-11(2,3)19(4,5)18-10(12(13,14)15)8-6-7-9(16)17-8/h6-8,10H,1-5H3.
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one?
2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one has a molecular weight of 296.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]-2H-furan-5-one is sourced from PubChem (CID 54097710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).