Cas no 921602-76-8 (Benzyl (3,3-difluorocyclohexyl)carbamate)

Benzyl (3,3-difluorocyclohexyl)carbamate structure
921602-76-8 structure
Product Name:Benzyl (3,3-difluorocyclohexyl)carbamate
CAS No:921602-76-8
MF:C14H17F2NO2
MW:269.287091016769
CID:1039805
PubChem ID:70316560
Update Time:2025-04-20

Benzyl (3,3-difluorocyclohexyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • Benzyl (3,3-difluorocyclohexyl)carbamate
    • benzyl 3,3-difluorocyclohexylcarbamate
    • 921602-76-8
    • Benzyl(3,3-difluorocyclohexyl)carbamate
    • BENZYL N-(3,3-DIFLUOROCYCLOHEXYL)CARBAMATE
    • Carbamic acid, N-(3,3-difluorocyclohexyl)-, phenylmethyl ester
    • DTXSID40741809
    • SCHEMBL8243727
    • DB-342458
    • MDL： MFCD21606564
    • Inchi： 1S/C14H17F2NO2/c15-14(16)8-4-7-12(9-14)17-13(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)
    • InChI Key： HFVSCGIGMJHUEY-UHFFFAOYSA-N
    • SMILES： FC1(CCCC(C1)NC(=O)OCC1C=CC=CC=1)F

Computed Properties

  • Exact Mass: 269.12273511g/mol
  • Monoisotopic Mass: 269.12273511g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 304
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 380.9±42.0 °C at 760 mmHg
  • Flash Point: 184.2±27.9 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Benzyl (3,3-difluorocyclohexyl)carbamate Security Information

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