Home Other Building Blocks 4-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

CAS No.:
67159-42-6
Catalog Number:
AG01A6L8
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
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Product Description
Catalog Number:
AG01A6L8
Chemical Name:
4-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CAS Number:
67159-42-6
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
MDL Number:
MFCD09955047
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
InChI:
InChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(16)15-6-8/h1-4,8H,5-6H2,(H,15,16)
InChI Key:
BTQCNBXBTKAVFB-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.202g/mol
Monoisotopic Mass:
229.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties