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1283720-61-5 | 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1283720-61-5 Catalog No: AG000Y13 MDL No:MFCD11848050
Product Description
Catalog Number:
AG000Y13
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1283720-61-5
Molecular Formula:
C11H18F3NO3
Molecular Weight:
269.2607
MDL Number:
MFCD11848050
IUPAC Name:
tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H18F3NO3/c1-9(2,3)18-8(17)15-5-4-10(6-15,7-16)11(12,13)14/h16H,4-7H2,1-3H3
InChI Key:
SDHBRGFJKCOGRS-UHFFFAOYSA-N
SMILES:
OCC1(CCN(C1)C(=O)OC(C)(C)C)C(F)(F)F
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.264g/mol
Monoisotopic Mass:
269.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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