Home Other Building Blocks 1-benzyl-3,3-bis(trifluoromethyl)pyrrolidine

1-benzyl-3,3-bis(trifluoromethyl)pyrrolidine

CAS No.:
1315368-00-3
Catalog Number:
AG01AJEK
Molecular Formula:
C13H13F6N
Molecular Weight:
297.2394
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Product Description
Catalog Number:
AG01AJEK
Chemical Name:
1-benzyl-3,3-bis(trifluoromethyl)pyrrolidine
CAS Number:
1315368-00-3
Molecular Formula:
C13H13F6N
Molecular Weight:
297.2394
MDL Number:
MFCD19382249
IUPAC Name:
1-benzyl-3,3-bis(trifluoromethyl)pyrrolidine
InChI:
InChI=1S/C13H13F6N/c14-12(15,16)11(13(17,18)19)6-7-20(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
FZGPQHRSIOFWRD-UHFFFAOYSA-N
SMILES:
FC(C1(CCN(C1)Cc1ccccc1)C(F)(F)F)(F)F
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.244g/mol
Monoisotopic Mass:
297.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties