Cas no 2173014-99-6 (Carbamic acid, N-[(1R,2S)-2-fluorocyclohexyl]-, 1,1-dimethylethyl ester, rel-)

Carbamic acid, N-[(1R,2S)-2-fluorocyclohexyl]-, 1,1-dimethylethyl ester, rel- structure
2173014-99-6 structure
Product Name:Carbamic acid, N-[(1R,2S)-2-fluorocyclohexyl]-, 1,1-dimethylethyl ester, rel-
CAS No:2173014-99-6
MF:C11H20FNO2
MW:217.28
CID:4785146
PubChem ID:154726572
Update Time:2024-11-07

Carbamic acid, N-[(1R,2S)-2-fluorocyclohexyl]-, 1,1-dimethylethyl ester, rel- Chemical and Physical Properties

Names and Identifiers

    • cis-N-Boc-2-fluorocyclohexylamine
    • CID 154726572
    • Carbamic acid, N-[(1R,2S)-2-fluorocyclohexyl]-, 1,1-dimethylethyl ester, rel-
    • TERT-BUTYL ((1R,2S)-2-FLUOROCYCLOHEXYL)CARBAMATE
    • EN300-7237296
    • rac-tert-butyl N-[(1R,2S)-2-fluorocyclohexyl]carbamate
    • AT34234
    • AT34238
    • TERT-BUTYL CIS-(2-FLUOROCYCLOHEXYL)CARBAMATE
    • 2173014-99-6
    • Inchi: 1S/C11H20FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9+/m0/s1
    • InChI Key: JMBBUHQGZLAHBD-DTWKUNHWSA-N
    • SMILES: F[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 217.14780704g/mol
  • Monoisotopic Mass: 217.14780704g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 225
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 38.3

Experimental Properties

  • Density: 1.03±0.1 g/cm3(Predicted)
  • Boiling Point: 297.4±29.0 °C(Predicted)
  • pka: 11.47±0.40(Predicted)

Carbamic acid, N-[(1R,2S)-2-fluorocyclohexyl]-, 1,1-dimethylethyl ester, rel- Pricemore >>

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