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Home > Encyclopedia > 2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid

2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid

2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid structure

2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid 

structure
  • CAS No:

    238403-51-5

  • Formula:

    C9HF17O2

  • Chemical Name:

    2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid

  • Synonyms:

    PC3548; Perfluoro-3,5,5-trimethylhexanoic acid;

  • Categories:

    Organic Chemistry  >  Coordination Complexes

2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid Basic Attributes

464.07600

463.9705080

DTXSID10380042

Characteristics

37.30000

5.28550

1.753g/cm3

160.9ºC at 760mmHg

51.1ºC

1.288

1.21mmHg at 25°C

Safety Information

UN 3265

R34

S26; S36/37/39

Xi; C

Computed Properties

Molecular Weight:464.08
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:4
Exact Mass:463.9705080
Monoisotopic Mass:463.9705080
Topological Polar Surface Area:37.3
Heavy Atom Count:28
Complexity:568
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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