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Home > Fluorides > 1226998-22-6
1226998-22-6 | 1-Piperidineacetonitrile, 4,4-difluoro-α-phenyl-
CAS No: 1226998-22-6 Catalog No: AG000IZX MDL No:MFCD22056218
Product Description
Catalog Number:
AG000IZX
Chemical Name:
1-Piperidineacetonitrile, 4,4-difluoro-α-phenyl-
CAS Number:
1226998-22-6
Molecular Formula:
C13H14F2N2
Molecular Weight:
236.2605
MDL Number:
MFCD22056218
IUPAC Name:
2-(4,4-difluoropiperidin-1-yl)-2-phenylacetonitrile
InChI:
InChI=1S/C13H14F2N2/c14-13(15)6-8-17(9-7-13)12(10-16)11-4-2-1-3-5-11/h1-5,12H,6-9H2
InChI Key:
DPTQIWCUTDHOIM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)N1CCC(CC1)(F)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.266g/mol
Monoisotopic Mass:
236.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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