Home Nitriles Pentanenitrile,5,5,5-trifluoro-

Pentanenitrile,5,5,5-trifluoro-

CAS No.:
89866-61-5
Catalog Number:
AG006PRZ
Molecular Formula:
C5H6F3N
Molecular Weight:
137.1030
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Product Description
Catalog Number:
AG006PRZ
Chemical Name:
Pentanenitrile,5,5,5-trifluoro-
CAS Number:
89866-61-5
Molecular Formula:
C5H6F3N
Molecular Weight:
137.1030
MDL Number:
MFCD08059547
IUPAC Name:
5,5,5-trifluoropentanenitrile
InChI:
InChI=1S/C5H6F3N/c6-5(7,8)3-1-2-4-9/h1-3H2
InChI Key:
JUBKTXQLCVDDLL-UHFFFAOYSA-N
SMILES:
N#CCCCC(F)(F)F
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.045g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.105g/mol
Monoisotopic Mass:
137.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties