sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 1,1,2,2-Tetrafluoroethyl benzyl ether

1,1,2,2-Tetrafluoroethyl benzyl ether

CAS No.:
115611-57-9
Catalog Number:
AG000G9F
Molecular Formula:
C9H8F4O
Molecular Weight:
208.1528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$194
- +
100g
95%
In Stock USA
United States
$438
- +
500g
95%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG000G9F
Chemical Name:
1,1,2,2-Tetrafluoroethyl benzyl ether
CAS Number:
115611-57-9
Molecular Formula:
C9H8F4O
Molecular Weight:
208.1528
MDL Number:
MFCD16620487
IUPAC Name:
1,1,2,2-tetrafluoroethoxymethylbenzene
InChI:
InChI=1S/C9H8F4O/c10-8(11)9(12,13)14-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
PPSLQKOUGIZCGM-UHFFFAOYSA-N
SMILES:
FC(C(OCc1ccccc1)(F)F)F
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.156g/mol
Monoisotopic Mass:
208.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Docking and molecular dynamics study on the inhibitory activity of N, N-disubstituted-trifluoro-3-amino-2-propanols-based inhibitors of cholesteryl ester transfer protein. Journal of molecular modeling 20110701
Properties