Home Other Building Blocks 3,4-difluoropyrrolidine, trifluoroacetic acid, cis

3,4-difluoropyrrolidine, trifluoroacetic acid, cis

CAS No.:
1864003-24-6
Catalog Number:
AG01AUHS
Molecular Formula:
C6H8F5NO2
Molecular Weight:
221.1252
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Product Description
Catalog Number:
AG01AUHS
Chemical Name:
3,4-difluoropyrrolidine, trifluoroacetic acid, cis
CAS Number:
1864003-24-6
Molecular Formula:
C6H8F5NO2
Molecular Weight:
221.1252
MDL Number:
MFCD29034891
IUPAC Name:
(3R,4S)-3,4-difluoropyrrolidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C4H7F2N.C2HF3O2/c5-3-1-7-2-4(3)6;3-2(4,5)1(6)7/h3-4,7H,1-2H2;(H,6,7)/t3-,4+;
InChI Key:
WIQGNMFTBPHCOH-HKTIBRIUSA-N
SMILES:
OC(=O)C(F)(F)F.F[C@@H]1CNC[C@@H]1F
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
221.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.127g/mol
Monoisotopic Mass:
221.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties