Home Carboxys (3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

CAS No.:
1909288-71-6
Catalog Number:
AG00ILDD
Molecular Formula:
C6H8F3NO2
Molecular Weight:
183.1284
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Product Description
Catalog Number:
AG00ILDD
Chemical Name:
(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CAS Number:
1909288-71-6
Molecular Formula:
C6H8F3NO2
Molecular Weight:
183.1284
MDL Number:
MFCD29907135
IUPAC Name:
(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C6H8F3NO2/c7-6(8,9)4-2-10-1-3(4)5(11)12/h3-4,10H,1-2H2,(H,11,12)/t3-,4-/m1/s1
InChI Key:
PDWZJYCKCFENCX-QWWZWVQMSA-N
SMILES:
OC(=O)[C@@H]1CNC[C@H]1C(F)(F)F
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
183.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.13g/mol
Monoisotopic Mass:
183.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties