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Home > Fluorides > 190965-02-7
190965-02-7 | 4-Piperidinone, 2-[[4-(trifluoromethyl)phenyl]methyl]-
CAS No: 190965-02-7 Catalog No: AG002EXS MDL No:
Product Description
Catalog Number:
AG002EXS
Chemical Name:
4-Piperidinone, 2-[[4-(trifluoromethyl)phenyl]methyl]-
CAS Number:
190965-02-7
Molecular Formula:
C13H14F3NO
Molecular Weight:
257.2516
IUPAC Name:
2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one
InChI:
InChI=1S/C13H14F3NO/c14-13(15,16)10-3-1-9(2-4-10)7-11-8-12(18)5-6-17-11/h1-4,11,17H,5-8H2
InChI Key:
RGLTUBPUWWSKAR-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)CC1NCCC(=O)C1)(F)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.256g/mol
Monoisotopic Mass:
257.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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