Home Other Building Blocks rac-3-[(2R,5S)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid hydrochloride, cis

rac-3-[(2R,5S)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid hydrochloride, cis

CAS No.:
2031242-10-9
Catalog Number:
AG01B75I
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
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Product Description
Catalog Number:
AG01B75I
Chemical Name:
rac-3-[(2R,5S)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid hydrochloride, cis
CAS Number:
2031242-10-9
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
MDL Number:
MFCD30347885
IUPAC Name:
3-[(2S,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid;hydrochloride
InChI:
InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)6-3-1-5(12-6)2-4-7(13)14;/h5-6,12H,1-4H2,(H,13,14);1H/t5-,6+;/m0./s1
InChI Key:
QLAMIMQVRRUDLZ-RIHPBJNCSA-N
SMILES:
OC(=O)CC[C@@H]1CC[C@@H](N1)C(F)(F)F.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.642g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties