Home Other Building Blocks N-(2,2-difluoroethyl)-2-(trifluoromethyl)aniline

N-(2,2-difluoroethyl)-2-(trifluoromethyl)aniline

CAS No.:
1179732-72-9
Catalog Number:
AG019Z82
Molecular Formula:
C9H8F5N
Molecular Weight:
225.1585
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Product Description
Catalog Number:
AG019Z82
Chemical Name:
N-(2,2-difluoroethyl)-2-(trifluoromethyl)aniline
CAS Number:
1179732-72-9
Molecular Formula:
C9H8F5N
Molecular Weight:
225.1585
MDL Number:
MFCD12807398
IUPAC Name:
N-(2,2-difluoroethyl)-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C9H8F5N/c10-8(11)5-15-7-4-2-1-3-6(7)9(12,13)14/h1-4,8,15H,5H2
InChI Key:
ZCNVRRRMBCAJMU-UHFFFAOYSA-N
SMILES:
FC(CNc1ccccc1C(F)(F)F)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.162g/mol
Monoisotopic Mass:
225.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties