Home Carboxys ethyl 3-fluoro-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate

ethyl 3-fluoro-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate

CAS No.:
2026508-77-8
Catalog Number:
AG01EJ7A
Molecular Formula:
C9H13F4NO2
Molecular Weight:
243.1986
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Product Description
Catalog Number:
AG01EJ7A
Chemical Name:
ethyl 3-fluoro-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CAS Number:
2026508-77-8
Molecular Formula:
C9H13F4NO2
Molecular Weight:
243.1986
MDL Number:
MFCD31666720
IUPAC Name:
ethyl 3-fluoro-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C9H13F4NO2/c1-3-16-6(15)8(10)5-14-4-7(8,2)9(11,12)13/h14H,3-5H2,1-2H3
InChI Key:
BNEDUBQKGUCOIP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(F)CNCC1(C)C(F)(F)F
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.202g/mol
Monoisotopic Mass:
243.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties