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Home > Fluorides > 209625-77-4
209625-77-4 | Pyrrolidine, 3,4-difluoro-1-phenyl-, (3R,4R)-
CAS No: 209625-77-4 Catalog No: AG002KBX MDL No:MFCD08166494
Product Description
Catalog Number:
AG002KBX
Chemical Name:
Pyrrolidine, 3,4-difluoro-1-phenyl-, (3R,4R)-
CAS Number:
209625-77-4
Molecular Formula:
C10H11F2N
Molecular Weight:
183.1978
MDL Number:
MFCD08166494
IUPAC Name:
(3R,4R)-3,4-difluoro-1-phenylpyrrolidine
InChI:
InChI=1S/C10H11F2N/c11-9-6-13(7-10(9)12)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m1/s1
InChI Key:
IUULWKLJIFKRQM-NXEZZACHSA-N
SMILES:
F[C@@H]1CN(C[C@H]1F)c1ccccc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
183.086g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.202g/mol
Monoisotopic Mass:
183.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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