Home Carboxys tert-butyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate

tert-butyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate

CAS No.:
1342482-41-0
Catalog Number:
AG01EHVB
Molecular Formula:
C10H16F3NO2
Molecular Weight:
239.2347
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Product Description
Catalog Number:
AG01EHVB
Chemical Name:
tert-butyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CAS Number:
1342482-41-0
Molecular Formula:
C10H16F3NO2
Molecular Weight:
239.2347
MDL Number:
MFCD18870238
IUPAC Name:
tert-butyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C10H16F3NO2/c1-8(2,3)16-7(15)9(10(11,12)13)4-5-14-6-9/h14H,4-6H2,1-3H3
InChI Key:
WKEARQZAEMUMLL-UHFFFAOYSA-N
SMILES:
O=C(C1(CNCC1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.113g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.238g/mol
Monoisotopic Mass:
239.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties