Home Nitriles 4,4-difluoropiperidine-3-carbonitrile hydrochloride

4,4-difluoropiperidine-3-carbonitrile hydrochloride

CAS No.:
2116938-91-9
Catalog Number:
AG01EJS6
Molecular Formula:
C6H9ClF2N2
Molecular Weight:
182.5989
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Product Description
Catalog Number:
AG01EJS6
Chemical Name:
4,4-difluoropiperidine-3-carbonitrile hydrochloride
CAS Number:
2116938-91-9
Molecular Formula:
C6H9ClF2N2
Molecular Weight:
182.5989
MDL Number:
MFCD31666814
IUPAC Name:
4,4-difluoropiperidine-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C6H8F2N2.ClH/c7-6(8)1-2-10-4-5(6)3-9;/h5,10H,1-2,4H2;1H
InChI Key:
GUEBRQPAXGKBQM-UHFFFAOYSA-N
SMILES:
N#CC1CNCCC1(F)F.Cl
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.599g/mol
Monoisotopic Mass:
182.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties