Home Other Building Blocks 3-(2,2,2-trifluoroethyl)aniline

3-(2,2,2-trifluoroethyl)aniline

CAS No.:
768335-16-6
Catalog Number:
AG01AKP5
Molecular Formula:
C8H8F3N
Molecular Weight:
175.1510
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Product Description
Catalog Number:
AG01AKP5
Chemical Name:
3-(2,2,2-trifluoroethyl)aniline
CAS Number:
768335-16-6
Molecular Formula:
C8H8F3N
Molecular Weight:
175.1510
MDL Number:
MFCD20501911
IUPAC Name:
3-(2,2,2-trifluoroethyl)aniline
InChI:
InChI=1S/C8H8F3N/c9-8(10,11)5-6-2-1-3-7(12)4-6/h1-4H,5,12H2
InChI Key:
FHLUOUXEXWHPHZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CC(F)(F)F
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.154g/mol
Monoisotopic Mass:
175.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties