Home Nitriles 4-[2,2,2-trifluoro-1-(methylamino)ethyl]benzonitrile

4-[2,2,2-trifluoro-1-(methylamino)ethyl]benzonitrile

CAS No.:
1824280-45-6
Catalog Number:
AG01EJT5
Molecular Formula:
C10H9F3N2
Molecular Weight:
214.1871
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Product Description
Catalog Number:
AG01EJT5
Chemical Name:
4-[2,2,2-trifluoro-1-(methylamino)ethyl]benzonitrile
CAS Number:
1824280-45-6
Molecular Formula:
C10H9F3N2
Molecular Weight:
214.1871
MDL Number:
MFCD18736382
IUPAC Name:
4-[2,2,2-trifluoro-1-(methylamino)ethyl]benzonitrile
InChI:
InChI=1S/C10H9F3N2/c1-15-9(10(11,12)13)8-4-2-7(6-14)3-5-8/h2-5,9,15H,1H3
InChI Key:
XCFRGHCPQMJDLT-UHFFFAOYSA-N
SMILES:
CNC(C(F)(F)F)c1ccc(cc1)C#N
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.191g/mol
Monoisotopic Mass:
214.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties