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Home > Fluorides > 1597407-59-4
1597407-59-4 | Methanone, [3-hydroxy-3-(2S)-2-piperidinyl-1-azetidinyl](2,3,4-trifluorophenyl)-
CAS No: 1597407-59-4 Catalog No: AG001RD7 MDL No:
Product Description
Catalog Number:
AG001RD7
Chemical Name:
Methanone, [3-hydroxy-3-(2S)-2-piperidinyl-1-azetidinyl](2,3,4-trifluorophenyl)-
CAS Number:
1597407-59-4
Molecular Formula:
C15H17F3N2O2
Molecular Weight:
314.3029
IUPAC Name:
[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]-(2,3,4-trifluorophenyl)methanone
InChI:
InChI=1S/C15H17F3N2O2/c16-10-5-4-9(12(17)13(10)18)14(21)20-7-15(22,8-20)11-3-1-2-6-19-11/h4-5,11,19,22H,1-3,6-8H2/t11-/m0/s1
InChI Key:
VEAULQKXCJCPRU-NSHDSACASA-N
SMILES:
O=C(c1ccc(c(c1F)F)F)N1CC(C1)(O)[C@@H]1CCCCN1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
314.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.308g/mol
Monoisotopic Mass:
314.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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