3,3,3-trifluoro-2-(trifluoromethyl)propionic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:564-10-3

mdl number:mfcd00464165

einecs number:none

rtecs number:none

brn number:none

pubchem number:24850851

physical property data

1. physical property data

1. melting point:50-53°c.

２. boiling point:125c.

toxicological data

none

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 23.01

2. molar volume (m³/mol）：122.3

3. isotonic specific volume (90.2k):257.7

4. surface tension (dyne/cm):19.6

5. polarizability（10^-24cm³):9.12

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 165

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

“>9.12

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 37.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 165

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet