ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate

C12H17F3O4Si — CID 10757321

IUPACethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate
SMILESCCOC(=O)[C@@](O)(c1ccc([Si](C)(C)C)o1)C(F)(F)F
InChIInChI=1S/C12H17F3O4Si/c1-5-18-10(16)11(17,12(13,14)15)8-6-7-9(19-8)20(2,3)4/h6-7,17H,5H2,1-4H3/t11-/m0/s1
InChIKeySPTYROSLSCXFSZ-NSHDSACASA-N
MW310.34 g/mol
LogP2.14
Rot. Bonds4

About ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate

ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate (PubChem CID 10757321) has the molecular formula C12H17F3O4Si and a molecular weight of 310.34 g/mol. Its IUPAC name is ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate
PubChem CID10757321
Molecular FormulaC12H17F3O4Si
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC Nameethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate
SMILESCCOC(=O)[C@@](O)(c1ccc([Si](C)(C)C)o1)C(F)(F)F
InChIInChI=1S/C12H17F3O4Si/c1-5-18-10(16)11(17,12(13,14)15)8-6-7-9(19-8)20(2,3)4/h6-7,17H,5H2,1-4H3/t11-/m0/s1
InChIKeySPTYROSLSCXFSZ-NSHDSACASA-N
XLogP2.14
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methylfuran-2-yl)propanoate
CID 3666296
4,4,4-Trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanoic acid
CID 16227664
(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol
CID 71474933
(R)-1,1,1-trifluoro-2-(furan-2-yl)penta-3,4-dien-2-ol
CID 118988137
2-(Trifluoromethoxy)ethyl 3-(furan-2-yl)-3-hydroxy-2-(trifluoromethoxy)butanoate
CID 134879491
3-Ethoxy-4-(furan-2-yl)-4-hydroxy-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 13830795
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)ethanol
CID 10562160
Furylhydroxypropionic acid
CID 83694667
Ethyl 2-[5-(2-cyclopropylcyclopropyl)(2-furyl)]-3,3,3-trifluoro-2-hydroxypropa noate
CID 2835840
Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-methylfuran-2-yl)propanoate
CID 3374402
Methyl 3,3,3-trifluoro-2-(2-furyl)-2-hydroxypropanoate
CID 14508805
1,1,1-Trifluoro-2-(5-methylfuran-2-yl)propan-2-ol
CID 14786197

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate?
The IUPAC name of ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate (CID 10757321) is ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate.
What is the SMILES notation for ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate?
The canonical SMILES for ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate is CCOC(=O)[C@@](O)(c1ccc([Si](C)(C)C)o1)C(F)(F)F.
What is the InChIKey of ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate?
The InChIKey is SPTYROSLSCXFSZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H17F3O4Si/c1-5-18-10(16)11(17,12(13,14)15)8-6-7-9(19-8)20(2,3)4/h6-7,17H,5H2,1-4H3/t11-/m0/s1.
What are the key properties of ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate?
ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate has a molecular weight of 310.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(5-trimethylsilylfuran-2-yl)propanoate is sourced from PubChem (CID 10757321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).