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Home > Fluorides > 113845-71-9
113845-71-9 | Pyrrolidine, 1-[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 113845-71-9 Catalog No: AG0009VP MDL No:MFCD00119261
Product Description
Catalog Number:
AG0009VP
Chemical Name:
Pyrrolidine, 1-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
113845-71-9
Molecular Formula:
C12H11F6N
Molecular Weight:
283.2129
MDL Number:
MFCD00119261
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine
InChI:
InChI=1S/C12H11F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h5-7H,1-4H2
InChI Key:
PGIFVSNBVXGSNX-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)N1CCCC1)(F)F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.217g/mol
Monoisotopic Mass:
283.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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