2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone

C14H27F3OSi — CID 87197971

IUPAC2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C14H27F3OSi/c1-10(2)7-19(8-11(3)4,9-12(5)6)13(18)14(15,16)17/h10-12H,7-9H2,1-6H3
InChIKeyWCRYVGPTVGQHAE-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.07
Rot. Bonds7

About 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone

2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone (PubChem CID 87197971) has the molecular formula C14H27F3OSi and a molecular weight of 296.45 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone
PubChem CID87197971
Molecular FormulaC14H27F3OSi
Molecular Weight296.45 g/mol
Exact Mass296.18
IUPAC Name2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C14H27F3OSi/c1-10(2)7-19(8-11(3)4,9-12(5)6)13(18)14(15,16)17/h10-12H,7-9H2,1-6H3
InChIKeyWCRYVGPTVGQHAE-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone (CID 87197971) is 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone is CC(C)C[Si](CC(C)C)(CC(C)C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone?
The InChIKey is WCRYVGPTVGQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3OSi/c1-10(2)7-19(8-11(3)4,9-12(5)6)13(18)14(15,16)17/h10-12H,7-9H2,1-6H3.
What are the key properties of 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone?
2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone has a molecular weight of 296.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[tris(2-methylpropyl)silyl]ethanone is sourced from PubChem (CID 87197971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).