Home Nitriles 3-amino-4,4,4-trifluorobutanenitrile

3-amino-4,4,4-trifluorobutanenitrile

CAS No.:
1391333-68-8
Catalog Number:
AG019QTZ
Molecular Formula:
C4H5F3N2
Molecular Weight:
138.0911
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Product Description
Catalog Number:
AG019QTZ
Chemical Name:
3-amino-4,4,4-trifluorobutanenitrile
CAS Number:
1391333-68-8
Molecular Formula:
C4H5F3N2
Molecular Weight:
138.0911
MDL Number:
MFCD22524940
IUPAC Name:
3-amino-4,4,4-trifluorobutanenitrile
InChI:
InChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h3H,1,9H2
InChI Key:
BIELTGROXOWDQO-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)CC#N
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.04g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.093g/mol
Monoisotopic Mass:
138.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties