AG00CAAX

426844-50-0 | BOC-4,4-DIFLUORO-L-PROLINAMIDE

AG00CAAX

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CAS Number	426844-50-0
Catalog Number	AG00CAAX(AGN-PC-0WBO9V)
Chemical Name	BOC-4,4-DIFLUORO-L-PROLINAMIDE
IUPAC Name	tert-butyl (2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate
InChI	InChI=1S/C10H16F2N2O3/c1-9(2,3)17-8(16)14-5-10(11,12)4-6(14)7(13)15/h6H,4-5H2,1-3H3,(H2,13,15)/t6-/m0/s1
InChI Key	FBQFSNRSVLFGLE-LURJTMIESA-N
MDL Number	MFCD06797011
Molecular Formula	C10H16F2N2O3
Molecular Weight	250.2424
SMILES	O=C(N1[C@H](C(N)=O)CC(F)(F)C1)OC(C)(C)C
Synonyms	426844-50-0, BOC-4,4-DIFLUORO-L-PROLINAMIDE, N-t-BOC-4,4-Difluoro-L-prolinamide, (S)-tert-Butyl 2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate, N-Boc-4,4-difluoro-L-prolinamide, tert-Butyl (2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate, SCHEMBL1347670, CTK8E5714, DTXSID60669798, C10H16F2N2O3, FBQFSNRSVLFGLE-LURJTMIESA-N, 7588AH, MFCD06797011, ZINC39326134, FCH4055703, OC-0066, ACM426844500, AJ-99858, AS-31221, PC409003, AX8169956, RT-011699, K-8842, N-t-BOC-4,4-Difluoro-L-prolinamide, AldrichCPR, tert-butyl (S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid,2-(aminocarbonyl)-4,4-difluoro-,1,1-dimethylethyl ester,(2S)-, 183208-36-8,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	250.113g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	250.246g/mol
Monoisotopic Mass	250.113g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number