Home Other Building Blocks ethyl 2-(trifluoromethyl)butanoate

ethyl 2-(trifluoromethyl)butanoate

CAS No.:
90784-38-6
Catalog Number:
AG01C3I1
Molecular Formula:
C7H11F3O2
Molecular Weight:
184.1562
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Product Description
Catalog Number:
AG01C3I1
Chemical Name:
ethyl 2-(trifluoromethyl)butanoate
CAS Number:
90784-38-6
Molecular Formula:
C7H11F3O2
Molecular Weight:
184.1562
MDL Number:
MFCD28362743
IUPAC Name:
ethyl 2-(trifluoromethyl)butanoate
InChI:
InChI=1S/C7H11F3O2/c1-3-5(7(8,9)10)6(11)12-4-2/h5H,3-4H2,1-2H3
InChI Key:
PZBFWLHXZOLQTQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)CC
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.071g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.158g/mol
Monoisotopic Mass:
184.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties