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89091-23-6 | 1,3,5-Triazine-2,4-diamine, 6-fluoro-N-propyl-N'-(2,2,2-trifluoroethyl)-
CAS No: 89091-23-6 Catalog No: AG003ZZC MDL No:
Product Description
Catalog Number:
AG003ZZC
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-fluoro-N-propyl-N'-(2,2,2-trifluoroethyl)-
CAS Number:
89091-23-6
Molecular Formula:
C8H11F4N5
Molecular Weight:
253.2001
IUPAC Name:
6-fluoro-4-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C8H11F4N5/c1-2-3-13-6-15-5(9)16-7(17-6)14-4-8(10,11)12/h2-4H2,1H3,(H2,13,14,15,16,17)
InChI Key:
BIIWIQLOFKGPQH-UHFFFAOYSA-N
SMILES:
CCCNc1nc(NCC(F)(F)F)nc(n1)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.205g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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