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1263376-80-2 | Ethyl 2-Trifluoromethyl-pyrrolidine-2-carboxylate
CAS No: 1263376-80-2 Catalog No: AG01F983 MDL No:
Product Description
Catalog Number:
AG01F983
Chemical Name:
Ethyl 2-Trifluoromethyl-pyrrolidine-2-carboxylate
CAS Number:
1263376-80-2
Molecular Formula:
C8H12F3NO2
Molecular Weight:
211.1816
IUPAC Name:
ethyl 2-(trifluoromethyl)pyrrolidine-2-carboxylate
InChI:
InChI=1S/C8H12F3NO2/c1-2-14-6(13)7(8(9,10)11)4-3-5-12-7/h12H,2-5H2,1H3
InChI Key:
IFLJOJOIEIPTOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCN1)C(F)(F)F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.184g/mol
Monoisotopic Mass:
211.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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