Home Nitriles 3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile

3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile

CAS No.:
2110133-57-6
Catalog Number:
AG01EJUD
Molecular Formula:
C7H9F3N2
Molecular Weight:
178.1550
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Product Description
Catalog Number:
AG01EJUD
Chemical Name:
3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile
CAS Number:
2110133-57-6
Molecular Formula:
C7H9F3N2
Molecular Weight:
178.1550
MDL Number:
MFCD31380945
IUPAC Name:
3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile
InChI:
InChI=1S/C7H9F3N2/c8-7(9,10)6(3-4-11)12-5-1-2-5/h5-6,12H,1-3H2
InChI Key:
KLRUIZKBNUZBKN-UHFFFAOYSA-N
SMILES:
N#CCC(C(F)(F)F)NC1CC1
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.158g/mol
Monoisotopic Mass:
178.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties