Home Other Building Blocks (S)-Alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol

(S)-Alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol

CAS No.:
848821-76-1
Catalog Number:
AG0032HC
Molecular Formula:
C21H15F12NO
Molecular Weight:
525.3307
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$185
- +
10g
97%
In Stock USA
United States
$313
- +
25g
97%
In Stock USA
United States
$563
- +
100g
97%
In Stock USA
United States
$1563
- +
Product Description
Catalog Number:
AG0032HC
Chemical Name:
(S)-Alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol
CAS Number:
848821-76-1
Molecular Formula:
C21H15F12NO
Molecular Weight:
525.3307
MDL Number:
MFCD10566964
IUPAC Name:
bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/m0/s1
InChI Key:
ITXPGQOGEYWAKW-INIZCTEOSA-N
SMILES:
OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@@H]1CCCN1
Properties
Complexity:
634  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
525.096g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
525.338g/mol
Monoisotopic Mass:
525.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Properties