trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate

C8H10F6O2Si — CID 13155188

IUPACtrimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate
SMILESC[Si](C)(C)OC(=O)C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O2Si/c1-17(2,3)16-6(15)4-5(7(9,10)11)8(12,13)14/h4H,1-3H3
InChIKeyOQMHOTYGKRJWLZ-UHFFFAOYSA-N
MW280.24 g/mol
LogP3.42
Rot. Bonds2

About trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate

trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate (PubChem CID 13155188) has the molecular formula C8H10F6O2Si and a molecular weight of 280.24 g/mol. Its IUPAC name is trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate
PubChem CID13155188
Molecular FormulaC8H10F6O2Si
Molecular Weight280.24 g/mol
Exact Mass280.04
IUPAC Nametrimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate
SMILESC[Si](C)(C)OC(=O)C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O2Si/c1-17(2,3)16-6(15)4-5(7(9,10)11)8(12,13)14/h4H,1-3H3
InChIKeyOQMHOTYGKRJWLZ-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate?
The IUPAC name of trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate (CID 13155188) is trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate.
What is the SMILES notation for trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate?
The canonical SMILES for trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate is C[Si](C)(C)OC(=O)C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate?
The InChIKey is OQMHOTYGKRJWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2Si/c1-17(2,3)16-6(15)4-5(7(9,10)11)8(12,13)14/h4H,1-3H3.
What are the key properties of trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate?
trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate has a molecular weight of 280.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate is sourced from PubChem (CID 13155188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).