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Home > Fluorides > 1218989-47-9
1218989-47-9 | Pyrrolidine, 1-[(S)-(1,1-dimethylethyl)sulfinyl]-2-(4-fluorophenyl)-, (2R)-
CAS No: 1218989-47-9 Catalog No: AG0016CU MDL No:MFCD20265631
Product Description
Catalog Number:
AG0016CU
Chemical Name:
Pyrrolidine, 1-[(S)-(1,1-dimethylethyl)sulfinyl]-2-(4-fluorophenyl)-, (2R)-
CAS Number:
1218989-47-9
Molecular Formula:
C14H20FNOS
Molecular Weight:
269.3781
MDL Number:
MFCD20265631
IUPAC Name:
(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine
InChI:
InChI=1S/C14H20FNOS/c1-14(2,3)18(17)16-10-4-5-13(16)11-6-8-12(15)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-,18-/m1/s1
InChI Key:
SOHDPWOODHXWCS-FZKQIMNGSA-N
SMILES:
Fc1ccc(cc1)[C@H]1CCCN1[S@@](=O)C(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
269.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.378g/mol
Monoisotopic Mass:
269.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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