Home Carboxys 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

CAS No.:
1340420-16-7
Catalog Number:
AG01EKFX
Molecular Formula:
C21H18F3NO4
Molecular Weight:
405.3671
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Product Description
Catalog Number:
AG01EKFX
Chemical Name:
1-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CAS Number:
1340420-16-7
Molecular Formula:
C21H18F3NO4
Molecular Weight:
405.3671
MDL Number:
MFCD18870223
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C21H18F3NO4/c22-21(23,24)20(18(26)27)9-10-25(12-20)19(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,26,27)
InChI Key:
XTFHJHPZSXAUBS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)(C(=O)O)C(F)(F)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
632  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.119g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
405.373g/mol
Monoisotopic Mass:
405.119g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties