Benzyl 3,3-Difluorocyclobutanecarboxylate - CAS 935273-86-2
Catalog: |
BB040955 |
Product Name: |
Benzyl 3,3-Difluorocyclobutanecarboxylate |
CAS: |
935273-86-2 |
Synonyms: |
3,3-difluoro-1-cyclobutanecarboxylic acid (phenylmethyl) ester; benzyl 3,3-difluorocyclobutane-1-carboxylate |
IUPAC Name: | benzyl 3,3-difluorocyclobutane-1-carboxylate |
Description: | Benzyl 3,3-Difluorocyclobutanecarboxylate (CAS# 935273-86-2) is a useful research chemical. |
Molecular Weight: | 226.22 |
Molecular Formula: | C12H12F2O2 |
Canonical SMILES: | C1C(CC1(F)F)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H12F2O2/c13-12(14)6-10(7-12)11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
InChI Key: | RRSMHVQRSRIXGF-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.77510 |
Publication Number | Title | Priority Date |
WO-2019099653-A1 | Therapeutically active compounds and their methods of use | 20171116 |
AU-2016254385-A1 | JAK inhibitors | 20150429 |
AU-2016254385-B2 | JAK inhibitors | 20150429 |
CA-2982493-A1 | Jak inhibitors | 20150429 |
CA-2982493-C | Jak inhibitors | 20150429 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.08053595 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.08053595 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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