1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone

C8H16F2OSi — CID 11480993

IUPAC1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone
SMILESCC(C)(C)[Si](C)(C)C(=O)C(F)F
InChIInChI=1S/C8H16F2OSi/c1-8(2,3)12(4,5)7(11)6(9)10/h6H,1-5H3
InChIKeyGXEOOIKAXXLFGM-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.87
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone

1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone (PubChem CID 11480993) has the molecular formula C8H16F2OSi and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone
PubChem CID11480993
Molecular FormulaC8H16F2OSi
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone
SMILESCC(C)(C)[Si](C)(C)C(=O)C(F)F
InChIInChI=1S/C8H16F2OSi/c1-8(2,3)12(4,5)7(11)6(9)10/h6H,1-5H3
InChIKeyGXEOOIKAXXLFGM-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-1-tri(propan-2-yl)silylethanone
CID 86211349
Trifluoromethyl-bis-(trimethylsilyl)methyl ketone
CID 553357
2,2,2-Trifluoro-1-tri(propan-2-yl)silylethanone
CID 18454915
2,2,2-Trifluoro-1-triethylsilylethanone
CID 21187452
1-[Tert-butyl(dimethyl)silyl]-2,2,2-trifluoroethanone
CID 57783807
2,2,2-Trifluoro-1-tri(propan-2-yl)silylethanone;hydrate
CID 87125637
2,2,2-Trifluoro-1-[tris(2-methylpropyl)silyl]ethanone;hydrate
CID 87197970
2,2,2-Trifluoro-1-triethylsilylethanone;hydrate
CID 87355331
1-[Acetyl-methyl-(3,3,3-trifluoropropyl)silyl]ethanone
CID 89427585
1-[Bis(2,2-difluoroacetyl)-propylsilyl]-2,2-difluoroethanone
CID 89427600
1-[Ditert-butyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
CID 90845553
1-[Di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
CID 91461803

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone (CID 11480993) is 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone is CC(C)(C)[Si](C)(C)C(=O)C(F)F.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone?
The InChIKey is GXEOOIKAXXLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2OSi/c1-8(2,3)12(4,5)7(11)6(9)10/h6H,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone?
1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone has a molecular weight of 194.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2,2-difluoroethanone is sourced from PubChem (CID 11480993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).