Cas no 809273-64-1 (Carbamic acid, [(4,4-difluorocyclohexyl)methyl]-, 1,1-dimethylethyl ester)

Carbamic acid, [(4,4-difluorocyclohexyl)methyl]-, 1,1-dimethylethyl ester is a fluorinated cyclohexyl derivative with potential applications in pharmaceutical and agrochemical research. The presence of the 4,4-difluorocyclohexyl moiety enhances metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery. The tert-butyl ester group offers improved handling and storage stability while facilitating selective deprotection under mild conditions. This compound is particularly useful in the synthesis of bioactive molecules, where the difluorinated cyclohexyl structure can influence conformational rigidity and binding affinity. Its well-defined chemical properties and synthetic versatility make it a practical choice for medicinal chemistry and process development.
Carbamic acid, [(4,4-difluorocyclohexyl)methyl]-, 1,1-dimethylethyl ester structure
809273-64-1 structure
Product Name:Carbamic acid, [(4,4-difluorocyclohexyl)methyl]-, 1,1-dimethylethyl ester
CAS No:809273-64-1
MF:C12H21F2NO2
MW:249.297450780869
CID:1801900
PubChem ID:57441078
Update Time:2025-05-28

Carbamic acid, [(4,4-difluorocyclohexyl)methyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, [(4,4-difluorocyclohexyl)methyl]-, 1,1-dimethylethyl ester
    • (4,4-difluorocyclohexylmethyl)carbamic acid tert-butyl ester
    • DB-322004
    • tert-butyl(4,4-difluorocyclohexyl)methylcarbamate
    • tert-butyl N-[(4,4-difluorocyclohexyl)methyl]carbamate
    • tert-Butyl[(4,4-difluorocyclohexyl)methyl]carbamate
    • tert-Butyl [(4,4-difluorocyclohexyl)methyl]carbamate
    • tert-Butyl ((4,4-difluorocyclohexyl)methyl)carbamate
    • SCHEMBL1845961
    • 809273-64-1
    • tert-butyl (4,4-difluorocyclohexyl)methylcarbamate
    • Inchi： 1S/C12H21F2NO2/c1-11(2,3)17-10(16)15-8-9-4-6-12(13,14)7-5-9/h9H,4-8H2,1-3H3,(H,15,16)
    • InChI Key： DJCMTZUQWODNFQ-UHFFFAOYSA-N
    • SMILES： FC1(CCC(CNC(=O)OC(C)(C)C)CC1)F

Computed Properties

  • Exact Mass: 249.15403524g/mol
  • Monoisotopic Mass: 249.15403524g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 264
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 38.3?2

Carbamic acid, [(4,4-difluorocyclohexyl)methyl]-, 1,1-dimethylethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1611639-5g
Tert-butyl ((4,4-difluorocyclohexyl)methyl)carbamate
 809273-64-1 98%
5g
 ￥27762.00 2024-07-28

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