Name: Name:rac-tert-butyl (3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylate, trans
Brand: Angene
SKU: AG01C3VY
Rating: 90 (10 reviews)

rac-tert-butyl (3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylate, trans

CAS No.:

1987412-64-5

Catalog Number:

AG01C3VY

Molecular Formula:

C10H17F2NO2

Molecular Weight:

221.2443

Catalog Number:

AG01C3VY

Chemical Name:

rac-tert-butyl (3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylate, trans

CAS Number:

1987412-64-5

Molecular Formula:

C10H17F2NO2

Molecular Weight:

221.2443

MDL Number:

MFCD29764288

IUPAC Name:

tert-butyl (3R,4S)-4-(difluoromethyl)pyrrolidine-3-carboxylate

InChI:

InChI=1S/C10H17F2NO2/c1-10(2,3)15-9(14)7-5-13-4-6(7)8(11)12/h6-8,13H,4-5H2,1-3H3/t6-,7+/m1/s1

InChI Key:

NELXAXGZHDIZMC-RQJHMYQMSA-N

SMILES:

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

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.123g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.248g/mol

Monoisotopic Mass:

221.123g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5