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1810069-99-8 | 2,6-Diazaspiro[3.3]heptane, 2-(2,2,2-trifluoroethyl)-, 2,2,2-trifluoroacetate (1:2)
CAS No: 1810069-99-8 Catalog No: AG0022KB MDL No:
Product Description
Catalog Number:
AG0022KB
Chemical Name:
2,6-Diazaspiro[3.3]heptane, 2-(2,2,2-trifluoroethyl)-, 2,2,2-trifluoroacetate (1:2)
CAS Number:
1810069-99-8
Molecular Formula:
C11H13F9N2O4
Molecular Weight:
408.2175
IUPAC Name:
2,2,2-trifluoroacetic acid;2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane
InChI:
InChI=1S/C7H11F3N2.2C2HF3O2/c8-7(9,10)5-12-3-6(4-12)1-11-2-6;2*3-2(4,5)1(6)7/h11H,1-5H2;2*(H,6,7)
InChI Key:
KYAICPIFYXJQPZ-UHFFFAOYSA-N
SMILES:
FC(CN1CC2(C1)CNC2)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.073g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
408.221g/mol
Monoisotopic Mass:
408.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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