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Home > Fluorides > 866785-90-2
866785-90-2 | Piperazine,1-[3-fluoro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-, (3R,5S)-rel-
CAS No: 866785-90-2 Catalog No: AG004TCX MDL No:
Product Description
Catalog Number:
AG004TCX
Chemical Name:
Piperazine,1-[3-fluoro-4-(trifluoromethyl)phenyl]-3,5-dimethyl-, (3R,5S)-rel-
CAS Number:
866785-90-2
Molecular Formula:
C13H16F4N2
Molecular Weight:
276.2732
IUPAC Name:
(3S,5R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine
InChI:
InChI=1S/C13H16F4N2/c1-8-6-19(7-9(2)18-8)10-3-4-11(12(14)5-10)13(15,16)17/h3-5,8-9,18H,6-7H2,1-2H3/t8-,9+
InChI Key:
IQOOSQKTKYGFBK-DTORHVGOSA-N
SMILES:
C[C@@H]1N[C@H](C)CN(C1)c1ccc(c(c1)F)C(F)(F)F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
276.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.279g/mol
Monoisotopic Mass:
276.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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