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Home > Fluorides > 876162-21-9
876162-21-9 | (R)-tert-Butyl 1-(2-fluorobenzyl)pyrrolidin-3-ylcarbamate
CAS No: 876162-21-9 Catalog No: AG01EY2N MDL No:
Product Description
Catalog Number:
AG01EY2N
Chemical Name:
(R)-tert-Butyl 1-(2-fluorobenzyl)pyrrolidin-3-ylcarbamate
CAS Number:
876162-21-9
Molecular Formula:
C16H23FN2O2
Molecular Weight:
294.3644
IUPAC Name:
tert-butyl N-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)18-13-8-9-19(11-13)10-12-6-4-5-7-14(12)17/h4-7,13H,8-11H2,1-3H3,(H,18,20)/t13-/m1/s1
InChI Key:
QIVAXTCJLWVJKN-CYBMUJFWSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CCN(C1)Cc1ccccc1F
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.37g/mol
Monoisotopic Mass:
294.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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