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Home > Fluorides > 1416351-83-1
1416351-83-1 | 4-(4,4-Difluoro-piperidin-1-yl)-butyronitrile
CAS No: 1416351-83-1 Catalog No: AG01FACL MDL No:MFCD22566299
Product Description
Catalog Number:
AG01FACL
Chemical Name:
4-(4,4-Difluoro-piperidin-1-yl)-butyronitrile
CAS Number:
1416351-83-1
Molecular Formula:
C9H14F2N2
Molecular Weight:
188.2177
MDL Number:
MFCD22566299
IUPAC Name:
4-(4,4-difluoropiperidin-1-yl)butanenitrile
InChI:
InChI=1S/C9H14F2N2/c10-9(11)3-7-13(8-4-9)6-2-1-5-12/h1-4,6-8H2
InChI Key:
YMJXHDWSXSKPQX-UHFFFAOYSA-N
SMILES:
N#CCCCN1CCC(CC1)(F)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.222g/mol
Monoisotopic Mass:
188.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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