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Home Other Building Blocks 1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol

1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol

CAS No.:
718-64-9
Catalog Number:
AG003D56
Molecular Formula:
C9H6F6O
Molecular Weight:
244.1338
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$44
- +
Product Description
Catalog Number:
AG003D56
Chemical Name:
1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol
CAS Number:
718-64-9
Molecular Formula:
C9H6F6O
Molecular Weight:
244.1338
MDL Number:
MFCD00040983
IUPAC Name:
1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
InChI:
InChI=1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H
InChI Key:
IZPIZCAYJQCTNG-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)(C(F)(F)F)c1ccccc1
EC Number:
211-943-4
NSC Number:
96337
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.032g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.136g/mol
Monoisotopic Mass:
244.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Hydrogen bonding affects the persistency of alkyl peroxy radicals. Organic letters 20070705
Synthesis and application of a bidentate ligand based on decafluoro-3-phenyl-3-pentanol: steric effect of pentafluoroethyl groups on the stereomutation of O-equatorial C-apical spirophosphoranes. Chemistry, an Asian journal 20070205
Properties