Name: Name:1,3-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG000P9P
Rating: 90 (10 reviews)

1,3-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester

CAS No.:

1196145-11-5

Catalog Number:

AG000P9P

Molecular Formula:

C10H14F2NO4-

Molecular Weight:

250.2193

Catalog Number:

AG000P9P

Chemical Name:

1,3-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester

CAS Number:

1196145-11-5

Molecular Formula:

C10H14F2NO4-

Molecular Weight:

250.2193

MDL Number:

MFCD13189575

IUPAC Name:

4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-4-6(7(14)15)10(11,12)5-13/h6H,4-5H2,1-3H3,(H,14,15)

InChI Key:

GWBQDKLQWBESMQ-UHFFFAOYSA-N

SMILES:

[O-]C(=O)C1CN(CC1(F)F)C(=O)OC(C)(C)C

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.23g/mol

Monoisotopic Mass:

251.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1