Home Nitriles 2-(3,3-difluorocyclopentyl)acetonitrile

2-(3,3-difluorocyclopentyl)acetonitrile

CAS No.:
1701764-04-6
Catalog Number:
AG01C99U
Molecular Formula:
C7H9F2N
Molecular Weight:
145.1499
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Product Description
Catalog Number:
AG01C99U
Chemical Name:
2-(3,3-difluorocyclopentyl)acetonitrile
CAS Number:
1701764-04-6
Molecular Formula:
C7H9F2N
Molecular Weight:
145.1499
MDL Number:
MFCD28550416
IUPAC Name:
2-(3,3-difluorocyclopentyl)acetonitrile
InChI:
InChI=1S/C7H9F2N/c8-7(9)3-1-6(5-7)2-4-10/h6H,1-3,5H2
InChI Key:
NWTHVXPAXKKBCJ-UHFFFAOYSA-N
SMILES:
N#CCC1CCC(C1)(F)F
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.07g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.153g/mol
Monoisotopic Mass:
145.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties