Cas no 1400264-85-8 (Tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate)

Tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate structure
1400264-85-8 structure
Product Name:Tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate
CAS No:1400264-85-8
MF:C10H17F2NO4
MW:253.243090391159
MDL:MFCD19443979
CID:3163357
PubChem ID:329768563
Update Time:2025-04-21

Tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate
    • SB20368
    • AK172363
    • AX8273730
    • 1-Boc-3,3-Difluoro-4-oxopiperidine Hydrate
    • Y7254
    • tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;hydrate
    • tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate, AldrichCPR
    • SCHEMBL26621617
    • CS-0048351
    • MFCD19443979
    • DB-352876
    • P12641
    • W-205120
    • 1400264-85-8
    • tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate, 95%
    • tert-Butyl3,3-difluoro-4-oxopiperidine-1-carboxylatehydrate
    • SY099920
    • AS-51421
    • 1-Boc-3,3-difluoropiperidin-4-one Hydrate
    • AKOS025211889
    • Tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate
    • MDL: MFCD19443979
    • Inchi: 1S/C10H15F2NO3.H2O/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;/h4-6H2,1-3H3;1H2
    • InChI Key: IEESRSKOIOREKD-UHFFFAOYSA-N
    • SMILES: FC1(C(CCN(C(=O)OC(C)(C)C)C1)=O)F.O

Computed Properties

  • Exact Mass: 253.11256435g/mol
  • Monoisotopic Mass: 253.11256435g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 310
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 47.6

Experimental Properties

  • Melting Point: 102-107?°C

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