Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; - CAS 698358-91-7
Catalog: |
BB056433 |
Product Name: |
Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; |
CAS: |
698358-91-7 |
Synonyms: |
methyl (3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; Methyl DL-(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; MethylDL-(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate |
IUPAC Name: | methyl (3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate |
Description: | Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; |
Molecular Weight: | 313.37 |
Molecular Formula: | C19H20FNO2 |
Canonical SMILES: | COC(=O)C1CN(CC1C2=CC(=CC=C2)F)CC3=CC=CC=C3 |
InChI: | InChI=1S/C19H20FNO2/c1-23-19(22)18-13-21(11-14-6-3-2-4-7-14)12-17(18)15-8-5-9-16(20)10-15/h2-10,17-18H,11-13H2,1H3/t17-,18+/m1/s1 |
InChI Key: | GJPDRAYPGFFTGY-MSOLQXFVSA-N |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.14780704 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.14780704 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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