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Home > Fluorides > 879399-76-5
879399-76-5 | Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CAS No: 879399-76-5 Catalog No: AG004GS3 MDL No:
Product Description
Catalog Number:
AG004GS3
Chemical Name:
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CAS Number:
879399-76-5
Molecular Formula:
C11H16F3N3
Molecular Weight:
247.2600
IUPAC Name:
4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
InChI:
InChI=1S/C11H16F3N3/c1-8-6-10(9-2-4-15-5-3-9)17(16-8)7-11(12,13)14/h6,9,15H,2-5,7H2,1H3
InChI Key:
RBASZOXLGJCZLD-UHFFFAOYSA-N
SMILES:
FC(Cn1nc(cc1C1CCNCC1)C)(F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.13g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.265g/mol
Monoisotopic Mass:
247.13g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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