1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone

C10H14F6O2Si — CID 91461803

IUPAC1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
SMILESCC(C)[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F6O2Si/c1-5(2)19(6(3)4,7(17)9(11,12)13)8(18)10(14,15)16/h5-6H,1-4H3
InChIKeyTYCAWUZNNOHJGR-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.60
Rot. Bonds4

About 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone

1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone (PubChem CID 91461803) has the molecular formula C10H14F6O2Si and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
PubChem CID91461803
Molecular FormulaC10H14F6O2Si
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
SMILESCC(C)[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F6O2Si/c1-5(2)19(6(3)4,7(17)9(11,12)13)8(18)10(14,15)16/h5-6H,1-4H3
InChIKeyTYCAWUZNNOHJGR-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone (CID 91461803) is 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone is CC(C)[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The InChIKey is TYCAWUZNNOHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O2Si/c1-5(2)19(6(3)4,7(17)9(11,12)13)8(18)10(14,15)16/h5-6H,1-4H3.
What are the key properties of 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone has a molecular weight of 308.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 91461803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).