2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone

C11H17F3O2Si — CID 15503929

IUPAC2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone
SMILESC[Si](C)(C)OC1=C(C(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3O2Si/c1-17(2,3)16-9-7-5-4-6-8(9)10(15)11(12,13)14/h4-7H2,1-3H3
InChIKeyXRJNKYSTMIGXCX-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.80
Rot. Bonds3

About 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone

2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone (PubChem CID 15503929) has the molecular formula C11H17F3O2Si and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone
PubChem CID15503929
Molecular FormulaC11H17F3O2Si
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone
SMILESC[Si](C)(C)OC1=C(C(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3O2Si/c1-17(2,3)16-9-7-5-4-6-8(9)10(15)11(12,13)14/h4-7H2,1-3H3
InChIKeyXRJNKYSTMIGXCX-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.80
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 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone (CID 15503929) is 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone is C[Si](C)(C)OC1=C(C(=O)C(F)(F)F)CCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone?
The InChIKey is XRJNKYSTMIGXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2Si/c1-17(2,3)16-9-7-5-4-6-8(9)10(15)11(12,13)14/h4-7H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone?
2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone has a molecular weight of 266.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone is sourced from PubChem (CID 15503929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).