Home Nitriles 4,4-difluoro-3,3-dimethylpentanenitrile

4,4-difluoro-3,3-dimethylpentanenitrile

CAS No.:
1997694-15-1
Catalog Number:
AG01EJTU
Molecular Formula:
C7H11F2N
Molecular Weight:
147.1657
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Product Description
Catalog Number:
AG01EJTU
Chemical Name:
4,4-difluoro-3,3-dimethylpentanenitrile
CAS Number:
1997694-15-1
Molecular Formula:
C7H11F2N
Molecular Weight:
147.1657
MDL Number:
MFCD31665732
IUPAC Name:
4,4-difluoro-3,3-dimethylpentanenitrile
InChI:
InChI=1S/C7H11F2N/c1-6(2,4-5-10)7(3,8)9/h4H2,1-3H3
InChI Key:
ZGIVIBCSVIQEHK-UHFFFAOYSA-N
SMILES:
N#CCC(C(F)(F)C)(C)C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.086g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.169g/mol
Monoisotopic Mass:
147.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties