trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate

C10H13F6NO5Si — CID 553576

IUPACtrimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
SMILESC[Si](C)(C)OC(=O)C(COC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C10H13F6NO5Si/c1-23(2,3)22-6(18)5(17-7(19)9(11,12)13)4-21-8(20)10(14,15)16/h5H,4H2,1-3H3,(H,17,19)
InChIKeyFWMRUNTVBVRZFF-UHFFFAOYSA-N
MW369.29 g/mol
LogP1.52
Rot. Bonds5

About trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate

trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate (PubChem CID 553576) has the molecular formula C10H13F6NO5Si and a molecular weight of 369.29 g/mol. Its IUPAC name is trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
PubChem CID553576
Molecular FormulaC10H13F6NO5Si
Molecular Weight369.29 g/mol
Exact Mass369.05
IUPAC Nametrimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
SMILESC[Si](C)(C)OC(=O)C(COC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C10H13F6NO5Si/c1-23(2,3)22-6(18)5(17-7(19)9(11,12)13)4-21-8(20)10(14,15)16/h5H,4H2,1-3H3,(H,17,19)
InChIKeyFWMRUNTVBVRZFF-UHFFFAOYSA-N
XLogP1.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
The IUPAC name of trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate (CID 553576) is trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate.
What is the SMILES notation for trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
The canonical SMILES for trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate is C[Si](C)(C)OC(=O)C(COC(=O)C(F)(F)F)NC(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
The InChIKey is FWMRUNTVBVRZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO5Si/c1-23(2,3)22-6(18)5(17-7(19)9(11,12)13)4-21-8(20)10(14,15)16/h5H,4H2,1-3H3,(H,17,19).
What are the key properties of trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate?
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate has a molecular weight of 369.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate is sourced from PubChem (CID 553576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).