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816468-48-1 | tert-Butyl 3-((4-(trifluoromethyl)phenyl)amino)pyrrolidine-1-carboxylate
CAS No: 816468-48-1 Catalog No: AG005JFG MDL No:MFCD07785920
Product Description
Catalog Number:
AG005JFG
Chemical Name:
tert-Butyl 3-((4-(trifluoromethyl)phenyl)amino)pyrrolidine-1-carboxylate
CAS Number:
816468-48-1
Molecular Formula:
C16H21F3N2O2
Molecular Weight:
330.3453
MDL Number:
MFCD07785920
IUPAC Name:
tert-butyl 3-[4-(trifluoromethyl)anilino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21-9-8-13(10-21)20-12-6-4-11(5-7-12)16(17,18)19/h4-7,13,20H,8-10H2,1-3H3
InChI Key:
VCCRMYAKJBZXMI-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)Nc1ccc(cc1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.156g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.351g/mol
Monoisotopic Mass:
330.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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