Home Carboxys Trans (+/-) [4-(trifluoromethyl)pyrrolidine]-1,3-dicarboxylic acid 1-tert-butyl ester

Trans (+/-) [4-(trifluoromethyl)pyrrolidine]-1,3-dicarboxylic acid 1-tert-butyl ester

CAS No.:
1212064-03-3
Catalog Number:
AG009WRM
Molecular Formula:
C11H16F3NO4
Molecular Weight:
283.2442
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$199
- +
250mg
97%
1 week
United States
$360
- +
1g
97%
1 week
United States
$846
- +
Product Description
Catalog Number:
AG009WRM
Chemical Name:
Trans (+/-) [4-(trifluoromethyl)pyrrolidine]-1,3-dicarboxylic acid 1-tert-butyl ester
CAS Number:
1212064-03-3
Molecular Formula:
C11H16F3NO4
Molecular Weight:
283.2442
MDL Number:
MFCD09910397
IUPAC Name:
(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-4-6(8(16)17)7(5-15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7-/m1/s1
InChI Key:
DIFRWCMZFYQBQP-RNFRBKRXSA-N
SMILES:
O=C(N1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O)OC(C)(C)C
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.247g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties