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Home > Fluorides > 159177-91-0
159177-91-0 | 2-Piperidinone, 1-[3-(trifluoromethyl)phenyl]-
CAS No: 159177-91-0 Catalog No: AG001QJ3 MDL No:
Product Description
Catalog Number:
AG001QJ3
Chemical Name:
2-Piperidinone, 1-[3-(trifluoromethyl)phenyl]-
CAS Number:
159177-91-0
Molecular Formula:
C12H12F3NO
Molecular Weight:
243.2250
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]piperidin-2-one
InChI:
InChI=1S/C12H12F3NO/c13-12(14,15)9-4-3-5-10(8-9)16-7-2-1-6-11(16)17/h3-5,8H,1-2,6-7H2
InChI Key:
UBAKVXOGCJMJPZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCN1c1cccc(c1)C(F)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.229g/mol
Monoisotopic Mass:
243.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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