Home Nitriles 2-(3,3-difluoropiperidin-4-yl)acetonitrile

2-(3,3-difluoropiperidin-4-yl)acetonitrile

CAS No.:
1782516-55-5
Catalog Number:
AG01DVU7
Molecular Formula:
C7H10F2N2
Molecular Weight:
160.1645
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Product Description
Catalog Number:
AG01DVU7
Chemical Name:
2-(3,3-difluoropiperidin-4-yl)acetonitrile
CAS Number:
1782516-55-5
Molecular Formula:
C7H10F2N2
Molecular Weight:
160.1645
MDL Number:
MFCD31666900
IUPAC Name:
2-(3,3-difluoropiperidin-4-yl)acetonitrile
InChI:
InChI=1S/C7H10F2N2/c8-7(9)5-11-4-2-6(7)1-3-10/h6,11H,1-2,4-5H2
InChI Key:
NOYBHOHYYARDNB-UHFFFAOYSA-N
SMILES:
N#CCC1CCNCC1(F)F
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.081g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.168g/mol
Monoisotopic Mass:
160.081g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties