Home Other Building Blocks 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetic acid

2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetic acid

CAS No.:
2138039-59-3
Catalog Number:
AG01EKWG
Molecular Formula:
C8H10F3NO3
Molecular Weight:
225.1651
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKWG
Chemical Name:
2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetic acid
CAS Number:
2138039-59-3
Molecular Formula:
C8H10F3NO3
Molecular Weight:
225.1651
MDL Number:
MFCD31559381
IUPAC Name:
2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetic acid
InChI:
InChI=1S/C8H10F3NO3/c9-8(10,11)5-2-1-3-12(7(5)15)4-6(13)14/h5H,1-4H2,(H,13,14)
InChI Key:
IJEOZQMIPLSDIY-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCCC(C1=O)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:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.167g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties