2,2,2-trifluoro-1-triethylsilylethanone;hydrate

C8H17F3O2Si — CID 87355331

IUPAC2,2,2-trifluoro-1-triethylsilylethanone;hydrate
SMILESCC[Si](CC)(CC)C(=O)C(F)(F)F.O
InChIInChI=1S/C8H15F3OSi.H2O/c1-4-13(5-2,6-3)7(12)8(9,10)11;/h4-6H2,1-3H3;1H2
InChIKeyFGLWDLQDGNFJCX-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.34
Rot. Bonds4

About 2,2,2-trifluoro-1-triethylsilylethanone;hydrate

2,2,2-trifluoro-1-triethylsilylethanone;hydrate (PubChem CID 87355331) has the molecular formula C8H17F3O2Si and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-triethylsilylethanone;hydrate.

Molecular Properties

Compound Name2,2,2-trifluoro-1-triethylsilylethanone;hydrate
PubChem CID87355331
Molecular FormulaC8H17F3O2Si
Molecular Weight230.30 g/mol
Exact Mass230.09
IUPAC Name2,2,2-trifluoro-1-triethylsilylethanone;hydrate
SMILESCC[Si](CC)(CC)C(=O)C(F)(F)F.O
InChIInChI=1S/C8H15F3OSi.H2O/c1-4-13(5-2,6-3)7(12)8(9,10)11;/h4-6H2,1-3H3;1H2
InChIKeyFGLWDLQDGNFJCX-UHFFFAOYSA-N
XLogP2.34
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.34
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-triethylsilylethanone;hydrate?
The IUPAC name of 2,2,2-trifluoro-1-triethylsilylethanone;hydrate (CID 87355331) is 2,2,2-trifluoro-1-triethylsilylethanone;hydrate.
What is the SMILES notation for 2,2,2-trifluoro-1-triethylsilylethanone;hydrate?
The canonical SMILES for 2,2,2-trifluoro-1-triethylsilylethanone;hydrate is CC[Si](CC)(CC)C(=O)C(F)(F)F.O.
What is the InChIKey of 2,2,2-trifluoro-1-triethylsilylethanone;hydrate?
The InChIKey is FGLWDLQDGNFJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OSi.H2O/c1-4-13(5-2,6-3)7(12)8(9,10)11;/h4-6H2,1-3H3;1H2.
What are the key properties of 2,2,2-trifluoro-1-triethylsilylethanone;hydrate?
2,2,2-trifluoro-1-triethylsilylethanone;hydrate has a molecular weight of 230.30 g/mol, XLogP of 2.34, 4 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-triethylsilylethanone;hydrate is sourced from PubChem (CID 87355331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).