Name: Name:1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG0000BJ
Rating: 90 (10 reviews)

1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester

CAS No.:

1000313-01-8

Catalog Number:

AG0000BJ

Molecular Formula:

C10H14F2NO4-

Molecular Weight:

250.2193

Catalog Number:

AG0000BJ

Chemical Name:

1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester

CAS Number:

1000313-01-8

Molecular Formula:

C10H14F2NO4-

Molecular Weight:

250.2193

MDL Number:

MFCD22121409

IUPAC Name:

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

InChI:

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

InChI Key:

WTMZYKCXBXPVPT-UHFFFAOYSA-N

SMILES:

O=C(N1CC(CC1C(=O)[O-])(F)F)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:

1.5