Name: Name:1-Pyrrolidinecarboxylic acid, 4-aMino-2-(difluoroMethyl)-, 1,1-d
Brand: Angene
SKU: AG0093VQ
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 4-aMino-2-(difluoroMethyl)-, 1,1-d

CAS No.:

1207852-96-7

Catalog Number:

AG0093VQ

Molecular Formula:

C10H18F2N2O2

Molecular Weight:

236.2589

Catalog Number:

AG0093VQ

Chemical Name:

1-Pyrrolidinecarboxylic acid, 4-aMino-2-(difluoroMethyl)-, 1,1-d

CAS Number:

1207852-96-7

Molecular Formula:

C10H18F2N2O2

Molecular Weight:

236.2589

IUPAC Name:

tert-butyl (2S,4R)-4-amino-2-(difluoromethyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C10H18F2N2O2/c1-10(2,3)16-9(15)14-5-6(13)4-7(14)8(11)12/h6-8H,4-5,13H2,1-3H3/t6-,7+/m1/s1

InChI Key:

RBKSKJDQWDXKGU-RQJHMYQMSA-N

SMILES:

FC([C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)N)F

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.263g/mol

Monoisotopic Mass:

236.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3