Home Other Building Blocks ethyl 4,4,4-trifluoro-3-oxo-2-(trifluoromethyl)butanoate

ethyl 4,4,4-trifluoro-3-oxo-2-(trifluoromethyl)butanoate

CAS No.:
1827645-31-7
Catalog Number:
AG01EJXZ
Molecular Formula:
C7H6F6O3
Molecular Weight:
252.1112
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Product Description
Catalog Number:
AG01EJXZ
Chemical Name:
ethyl 4,4,4-trifluoro-3-oxo-2-(trifluoromethyl)butanoate
CAS Number:
1827645-31-7
Molecular Formula:
C7H6F6O3
Molecular Weight:
252.1112
MDL Number:
MFCD30471175
IUPAC Name:
ethyl 4,4,4-trifluoro-3-oxo-2-(trifluoromethyl)butanoate
InChI:
InChI=1S/C7H6F6O3/c1-2-16-5(15)3(6(8,9)10)4(14)7(11,12)13/h3H,2H2,1H3
InChI Key:
SGTISEJLUUFWFM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)C(=O)C(F)(F)F
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.022g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.112g/mol
Monoisotopic Mass:
252.022g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties