(S)-1-Boc-4,4-difluoro-2-(hydroxymethyl)pyrrolidine - CAS 215918-21-1
Catalog: |
BB016991 |
Product Name: |
(S)-1-Boc-4,4-difluoro-2-(hydroxymethyl)pyrrolidine |
CAS: |
215918-21-1 |
Synonyms: |
(2S)-4,4-difluoro-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | (S)-1-Boc-4,4-difluoro-2-(hydroxymethyl)pyrrolidine (CAS# 215918-21-1) is a useful research chemical compound. |
Molecular Weight: | 237.24 |
Molecular Formula: | C10H17F2NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1CO)(F)F |
InChI: | InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-6-10(11,12)4-7(13)5-14/h7,14H,4-6H2,1-3H3/t7-/m0/s1 |
InChI Key: | KQLZXWXCBWPDAD-ZETCQYMHSA-N |
Boiling Point: | 293.4 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD12755205 |
LogP: | 1.56130 |
Publication Number | Title | Priority Date |
WO-2021124172-A1 | 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof | 20191218 |
WO-2021113492-A1 | Cyclic compounds and methods of using same | 20191206 |
WO-2021110968-A1 | Macrocylces comprising a 4-amido-2,4-pentadienoate moiety for the treatment of hypoxic cancers | 20191204 |
CN-112574224-A | KRAS G12C inhibitor and application thereof | 20190930 |
WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 20190930 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.11764973 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.11764973 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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