Methyl 2-(Trifluoroacetamido)prop-2-enoate - CAS 58137-35-2
Catalog: |
BB072830 |
Product Name: |
Methyl 2-(Trifluoroacetamido)prop-2-enoate |
CAS: |
58137-35-2 |
Synonyms: |
methyl 2-(trifluoroacetamido)prop-2-enoate; Methyl 2-[(2,2,2-trifluoroacetyl)amino]prop-2-enoate; 2-Propenoic acid, 2-[(trifluoroacetyl)amino]-, methyl ester; methyl2-(trifluoroacetamido)prop-2-enoate |
IUPAC Name: | methyl 2-[(2,2,2-trifluoroacetyl)amino]prop-2-enoate |
Description: | Methyl 2-(Trifluoroacetamido)prop-2-enoate (CAS# 58137-35-2) is a useful research chemical that can be used as treatment for cancer. This compound can be used for stereoselective preparation of amino propanoates. |
Molecular Weight: | 197.11 |
Molecular Formula: | C6H6NO3F3 |
Canonical SMILES: | COC(=O)C(=C)NC(=O)C(F)(F)F |
InChI: | InChI=1S/C6H6F3NO3/c1-3(4(11)13-2)10-5(12)6(7,8)9/h1H2,2H3,(H,10,12) |
InChI Key: | DVCQOBJXPULRLS-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Dark Brown to Very Dark Brown Oil |
Storage: | -20°C, Light sensitive |
References: | Cecchinelli, F., et al. Org. Biomol. Chem., 18, 671-674, (2020); Barsanti, P., et al. PCT Int. Appl., 968, (2019). |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.02997754 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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