Name: Name:1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, phenylmethyl ester
Brand: Angene
SKU: AG001UHC
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, phenylmethyl ester

CAS No.:

1638761-26-8

Catalog Number:

AG001UHC

Molecular Formula:

C12H13F2NO3

Molecular Weight:

257.2333

Catalog Number:

AG001UHC

Chemical Name:

1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, phenylmethyl ester

CAS Number:

1638761-26-8

Molecular Formula:

C12H13F2NO3

Molecular Weight:

257.2333

MDL Number:

MFCD27987038

IUPAC Name:

benzyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

InChI:

InChI=1S/C12H13F2NO3/c13-12(14)8-15(6-10(12)16)11(17)18-7-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2

InChI Key:

YYXSQDYMDGAHLV-UHFFFAOYSA-N

SMILES:

O=C(N1CC(C(C1)(F)F)O)OCc1ccccc1

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.237g/mol

Monoisotopic Mass:

257.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4