1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate - CAS 76699-09-7
Catalog: |
BB062893 |
Product Name: |
1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate |
CAS: |
76699-09-7 |
Synonyms: |
1,3-DIETHYL 2-(2,2,2-TRIFLUOROACETAMIDO)PROPANEDIOATE; 1,3-Diethyl2-(2,2,2-trifluoroacetamido)propanedioate; diethyl 2-[(2,2,2-trifluoroacetyl)amino]propanedioate; Diethyl 2-(2,2,2-trifluoroacetamido)malonate |
IUPAC Name: | diethyl 2-[(2,2,2-trifluoroacetyl)amino]propanedioate |
Description: | 1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate |
Molecular Weight: | 271.19 |
Molecular Formula: | C9H12F3NO5 |
Canonical SMILES: | CCOC(=O)C(C(=O)OCC)NC(=O)C(F)(F)F |
InChI: | InChI=1S/C9H12F3NO5/c1-3-17-6(14)5(7(15)18-4-2)13-8(16)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16) |
InChI Key: | IKULJLHFWHSYLT-UHFFFAOYSA-N |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.06675697 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.06675697 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 81.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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