(S)-4,4-Difluoro-2-pyrrolidinecarboxylic Acid Trifluoroacetate - CAS 1373255-09-4
Catalog: |
BB008547 |
Product Name: |
(S)-4,4-Difluoro-2-pyrrolidinecarboxylic Acid Trifluoroacetate |
CAS: |
1373255-09-4 |
Synonyms: |
(2S)-4,4-difluoro-2-pyrrolidinecarboxylic acid;2,2,2-trifluoroacetic acid; (2S)-4,4-difluoropyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid |
IUPAC Name: | (2S)-4,4-difluoropyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid |
Description: | (S)-4,4-Difluoro-2-pyrrolidinecarboxylic Acid Trifluoroacetate (CAS# 1373255-09-4) is a useful research chemical. |
Molecular Weight: | 265.13 |
Molecular Formula: | C7H8F5NO4 |
Canonical SMILES: | C1C(NCC1(F)F)C(=O)O.C(=O)(C(F)(F)F)O |
InChI: | InChI=1S/C5H7F2NO2.C2HF3O2/c6-5(7)1-3(4(9)10)8-2-5;3-2(4,5)1(6)7/h3,8H,1-2H2,(H,9,10);(H,6,7)/t3-;/m0./s1 |
InChI Key: | MNSASDZHAJGODJ-DFWYDOINSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD22194317 |
LogP: | 1.03030 |
Publication Number | Title | Priority Date |
AU-2014352404-A1 | Dihydropyrimidine compounds and their application in pharmaceuticals | 20131119 |
CA-2920415-A1 | Dihydropyrimidine compounds and their application in pharmaceuticals | 20131119 |
EP-3071564-A1 | Dihydropyrimidine compounds and their application in pharmaceuticals | 20131119 |
JP-2016537358-A | Dihydropyrimidine compounds and their application in medicine | 20131119 |
JP-6524081-B2 | Dihydropyrimidine compounds and their application in medicine | 20131119 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.03734855 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.03734855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 86.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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