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Home > Fluorides > 1239596-53-2
1239596-53-2 | 4-Piperidinol, 3,3-difluoro-1-(phenylmethyl)-
CAS No: 1239596-53-2 Catalog No: AG000L9N MDL No:MFCD18433631
Product Description
Catalog Number:
AG000L9N
Chemical Name:
4-Piperidinol, 3,3-difluoro-1-(phenylmethyl)-
CAS Number:
1239596-53-2
Molecular Formula:
C12H15F2NO
Molecular Weight:
227.2504
MDL Number:
MFCD18433631
IUPAC Name:
1-benzyl-3,3-difluoropiperidin-4-ol
InChI:
InChI=1S/C12H15F2NO/c13-12(14)9-15(7-6-11(12)16)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2
InChI Key:
GQTXKSUYTZFNET-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1(F)F)Cc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.255g/mol
Monoisotopic Mass:
227.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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