Home Other Building Blocks 3-(pentafluoroethyl)phenol

3-(pentafluoroethyl)phenol

CAS No.:
53998-04-2
Catalog Number:
AG01A1CS
Molecular Formula:
C8H5F5O
Molecular Weight:
212.1167
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Product Description
Catalog Number:
AG01A1CS
Chemical Name:
3-(pentafluoroethyl)phenol
CAS Number:
53998-04-2
Molecular Formula:
C8H5F5O
Molecular Weight:
212.1167
MDL Number:
MFCD00461898
IUPAC Name:
3-(1,1,2,2,2-pentafluoroethyl)phenol
InChI:
InChI=1S/C8H5F5O/c9-7(10,8(11,12)13)5-2-1-3-6(14)4-5/h1-4,14H
InChI Key:
YLUOMFUMEQTVHT-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(C(F)(F)F)(F)F
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.119g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties