Home Nitriles 2-(4,4-difluorocyclohexyl)acetonitrile

2-(4,4-difluorocyclohexyl)acetonitrile

CAS No.:
959600-88-5
Catalog Number:
AG00IJOF
Molecular Formula:
C8H11F2N
Molecular Weight:
159.1764
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Product Description
Catalog Number:
AG00IJOF
Chemical Name:
2-(4,4-difluorocyclohexyl)acetonitrile
CAS Number:
959600-88-5
Molecular Formula:
C8H11F2N
Molecular Weight:
159.1764
MDL Number:
MFCD13191787
IUPAC Name:
2-(4,4-difluorocyclohexyl)acetonitrile
InChI:
InChI=1S/C8H11F2N/c9-8(10)4-1-7(2-5-8)3-6-11/h7H,1-5H2
InChI Key:
YCPSRZKMHXVJDI-UHFFFAOYSA-N
SMILES:
N#CCC1CCC(CC1)(F)F
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.086g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.18g/mol
Monoisotopic Mass:
159.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties