methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate

C7H13F3O3Si — CID 11535953

IUPACmethyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate
SMILESCOC(=O)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3O3Si/c1-12-6(11)5(7(8,9)10)13-14(2,3)4/h5H,1-4H3
InChIKeyLHTKEMQECCQSEV-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.94
Rot. Bonds3

About methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate

methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate (PubChem CID 11535953) has the molecular formula C7H13F3O3Si and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate
PubChem CID11535953
Molecular FormulaC7H13F3O3Si
Molecular Weight230.26 g/mol
Exact Mass230.06
IUPAC Namemethyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate
SMILESCOC(=O)C(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3O3Si/c1-12-6(11)5(7(8,9)10)13-14(2,3)4/h5H,1-4H3
InChIKeyLHTKEMQECCQSEV-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate?
The IUPAC name of methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate (CID 11535953) is methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate is COC(=O)C(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate?
The InChIKey is LHTKEMQECCQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O3Si/c1-12-6(11)5(7(8,9)10)13-14(2,3)4/h5H,1-4H3.
What are the key properties of methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate?
methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate has a molecular weight of 230.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-trimethylsilyloxypropanoate is sourced from PubChem (CID 11535953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).