Home Carboxys 5-oxo-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid

5-oxo-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid

CAS No.:
1518440-13-5
Catalog Number:
AG01B15F
Molecular Formula:
C6H6F3NO3
Molecular Weight:
197.1119
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Product Description
Catalog Number:
AG01B15F
Chemical Name:
5-oxo-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CAS Number:
1518440-13-5
Molecular Formula:
C6H6F3NO3
Molecular Weight:
197.1119
MDL Number:
MFCD24512081
IUPAC Name:
5-oxo-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C6H6F3NO3/c7-6(8,9)2-1-3(11)10-4(2)5(12)13/h2,4H,1H2,(H,10,11)(H,12,13)
InChI Key:
QNSRKTDHKSZVOJ-UHFFFAOYSA-N
SMILES:
O=C1NC(C(C1)C(F)(F)F)C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.113g/mol
Monoisotopic Mass:
197.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties