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Home > Fluorides > 115611-57-9
115611-57-9 | Benzene, [(1,1,2,2-tetrafluoroethoxy)methyl]-
CAS No: 115611-57-9 Catalog No: AG000G9F MDL No:MFCD16620487
Product Description
Catalog Number:
AG000G9F
Chemical Name:
Benzene, [(1,1,2,2-tetrafluoroethoxy)methyl]-
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 |
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