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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanamine,1,1,1-trifluoro-2-methyl-
5009-31-4 structure

2-Propanamine,1,1,1-trifluoro-2-methyl-

Iupac Name:(Z)-1-bromohex-3-ene
CAS No.:5009-31-4
Molecular Weight:163.058
Molecular Formula:C10H16O4 (isomer)
Names and Identifiers
Synonyms

1,1,1-Trifluoro-2-methylpropan-2-amine 2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYLAMINE 2,2,2-Trifluoromethyl-1,1-dimethyl-ethylamine Ethylamine 2,2,2-trifluoro-1,1-dimethyl-,2,2,2-trifluoro-1,1-dimethyl- (8CI) Ethylamine2,2,2-trifluoro-1,1-dimethyl- (7CI)

Inchi
InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3/b4-3-
InChkey
HSNATJOWAYTBGM-ARJAWSKDSA-N
Canonical Smiles
CCC=CCCBr
Isomers Smiles
CC/C=C\CCBr
Properties
Density
1.169
Boiling Point
320.5°C at 760 mmHg
Refractive Index
1.472
Flash Point
134.5°C
Computational chemical data
  • Molecular Weight:163.058g/mol
  • Molecular Formula:C10H16O4
  • Compound Is Canonicalized:True
  • Exact Mass:162.004
  • Monoisotopic Mass:162.004
  • Complexity:48.1
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGABAAAABSACAAAACAAAAAACA ACBCAAAAAAAgAAAICAAAACgAAAAAAQAAAAAAAAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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