Home Other Building Blocks 1-(4-tert-butylphenyl)-2,2,2-trifluoroethan-1-amine

1-(4-tert-butylphenyl)-2,2,2-trifluoroethan-1-amine

CAS No.:
886369-21-7
Catalog Number:
AG019VB9
Molecular Formula:
C12H16F3N
Molecular Weight:
231.2573
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Product Description
Catalog Number:
AG019VB9
Chemical Name:
1-(4-tert-butylphenyl)-2,2,2-trifluoroethan-1-amine
CAS Number:
886369-21-7
Molecular Formula:
C12H16F3N
Molecular Weight:
231.2573
MDL Number:
MFCD07374661
IUPAC Name:
1-(4-tert-butylphenyl)-2,2,2-trifluoroethanamine
InChI:
InChI=1S/C12H16F3N/c1-11(2,3)9-6-4-8(5-7-9)10(16)12(13,14)15/h4-7,10H,16H2,1-3H3
InChI Key:
WBVVOROITVUGEO-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.123g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.262g/mol
Monoisotopic Mass:
231.123g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties