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Home > Fluorides > 942474-71-7
942474-71-7 | 8-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CAS No: 942474-71-7 Catalog No: AG01EZG7 MDL No:
Product Description
Catalog Number:
AG01EZG7
Chemical Name:
8-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CAS Number:
942474-71-7
Molecular Formula:
C13H15F3N2O2
Molecular Weight:
288.2656
IUPAC Name:
8-[5-(trifluoromethyl)pyridin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C13H15F3N2O2/c14-13(15,16)10-1-2-11(17-9-10)18-5-3-12(4-6-18)19-7-8-20-12/h1-2,9H,3-8H2
InChI Key:
RGZZGINKRRDSSS-UHFFFAOYSA-N
SMILES:
FC(c1ccc(nc1)N1CCC2(CC1)OCCO2)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.27g/mol
Monoisotopic Mass:
288.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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