Name: Name:1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000Y13
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester

CAS No.:

1283720-61-5

Catalog Number:

AG000Y13

Molecular Formula:

C11H18F3NO3

Molecular Weight:

269.2607

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

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.264g/mol

Monoisotopic Mass:

269.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8