Home Other Building Blocks ETHYL 4,4,4-TRIFLUORO-3-(METHYLAMINO)BUTANOATE

ETHYL 4,4,4-TRIFLUORO-3-(METHYLAMINO)BUTANOATE

CAS No.:
129612-47-1
Catalog Number:
AG01EJ75
Molecular Formula:
C7H12F3NO2
Molecular Weight:
199.1709
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Product Description
Catalog Number:
AG01EJ75
Chemical Name:
ETHYL 4,4,4-TRIFLUORO-3-(METHYLAMINO)BUTANOATE
CAS Number:
129612-47-1
Molecular Formula:
C7H12F3NO2
Molecular Weight:
199.1709
MDL Number:
MFCD20683886
IUPAC Name:
ethyl 4,4,4-trifluoro-3-(methylamino)butanoate
InChI:
InChI=1S/C7H12F3NO2/c1-3-13-6(12)4-5(11-2)7(8,9)10/h5,11H,3-4H2,1-2H3
InChI Key:
JITCSDVIMLVQBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(F)(F)F)NC
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.082g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.173g/mol
Monoisotopic Mass:
199.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties