Home Nitriles 2-(2,2,2-trifluoroethoxy)propanenitrile

2-(2,2,2-trifluoroethoxy)propanenitrile

CAS No.:
1250815-37-2
Catalog Number:
AG01BEF1
Molecular Formula:
C5H6F3NO
Molecular Weight:
153.1024
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Product Description
Catalog Number:
AG01BEF1
Chemical Name:
2-(2,2,2-trifluoroethoxy)propanenitrile
CAS Number:
1250815-37-2
Molecular Formula:
C5H6F3NO
Molecular Weight:
153.1024
MDL Number:
MFCD16079400
IUPAC Name:
2-(2,2,2-trifluoroethoxy)propanenitrile
InChI:
InChI=1S/C5H6F3NO/c1-4(2-9)10-3-5(6,7)8/h4H,3H2,1H3
InChI Key:
LGOMXOJDMYRJJI-UHFFFAOYSA-N
SMILES:
CC(C#N)OCC(F)(F)F
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.104g/mol
Monoisotopic Mass:
153.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties