trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate

C11H15F6NO5Si — CID 91696454

IUPACtrimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
SMILESC[C@@H](OC(=O)C(F)(F)F)[C@H](NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H15F6NO5Si/c1-5(22-9(21)11(15,16)17)6(7(19)23-24(2,3)4)18-8(20)10(12,13)14/h5-6H,1-4H3,(H,18,20)/t5-,6+/m1/s1
InChIKeyOMNIFVPZYCPNJD-RITPCOANSA-N
MW383.32 g/mol
LogP1.91
Rot. Bonds5

About trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate

trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate (PubChem CID 91696454) has the molecular formula C11H15F6NO5Si and a molecular weight of 383.32 g/mol. Its IUPAC name is trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
PubChem CID91696454
Molecular FormulaC11H15F6NO5Si
Molecular Weight383.32 g/mol
Exact Mass383.06
IUPAC Nametrimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
SMILESC[C@@H](OC(=O)C(F)(F)F)[C@H](NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H15F6NO5Si/c1-5(22-9(21)11(15,16)17)6(7(19)23-24(2,3)4)18-8(20)10(12,13)14/h5-6H,1-4H3,(H,18,20)/t5-,6+/m1/s1
InChIKeyOMNIFVPZYCPNJD-RITPCOANSA-N
XLogP1.91
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,O-Bis(2,2,2-trifluoroacetyl)-L-threonine methyl ester
CID 129659952
Serine, trifluoroacetyl-isopropyl ester
CID 6430298
L-Threonine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester
CID 91721211
Threonine, trifluoroacetyl-isopropyl ester
CID 6430285
Thr, isobutyl ester, HFB
CID 13743505
Ser, isobutyl ester, HFB
CID 13743544
Ser, butyl ester, HFB
CID 91747295
Allo-threonine, trifluoroacetyl-isopropyl ester
CID 91747753
Butan-2-yl 3-acetyloxy-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 539848
N,O-Bis(heptafluorobutyryl)serine propyl ester
CID 540687
Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 545428
Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
CID 546510

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate?
The IUPAC name of trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate (CID 91696454) is trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate.
What is the SMILES notation for trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate?
The canonical SMILES for trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate is C[C@@H](OC(=O)C(F)(F)F)[C@H](NC(=O)C(F)(F)F)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate?
The InChIKey is OMNIFVPZYCPNJD-RITPCOANSA-N. The full InChI is InChI=1S/C11H15F6NO5Si/c1-5(22-9(21)11(15,16)17)6(7(19)23-24(2,3)4)18-8(20)10(12,13)14/h5-6H,1-4H3,(H,18,20)/t5-,6+/m1/s1.
What are the key properties of trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate?
trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate has a molecular weight of 383.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate is sourced from PubChem (CID 91696454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).