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784181-89-1 | 1-(3-Fluorobenzyl)pyrrolidine
CAS No: 784181-89-1 Catalog No: AG01EXE8 MDL No:
Product Description
Catalog Number:
AG01EXE8
Chemical Name:
1-(3-Fluorobenzyl)pyrrolidine
CAS Number:
784181-89-1
Molecular Formula:
C11H14FN
Molecular Weight:
179.2340
IUPAC Name:
1-[(3-fluorophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2
InChI Key:
PRKCBGIXZFUCEF-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CN1CCCC1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.238g/mol
Monoisotopic Mass:
179.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| 7-Azabicyclo[2.2.1]heptane as a scaffold for the development of selective sigma-2 (σ2) receptor ligands. | Bioorganic & medicinal chemistry letters 20120615 |
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