Name: Name:tert-butyl (3aR,6aR)-3a-(trifluoromethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Brand: Angene
SKU: AG01DIQW
Rating: 90 (10 reviews)

tert-butyl (3aR,6aR)-3a-(trifluoromethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

CAS No.:

1251004-14-4

Catalog Number:

AG01DIQW

Molecular Formula:

C12H19F3N2O2

Molecular Weight:

280.2867

Catalog Number:

AG01DIQW

Chemical Name:

tert-butyl (3aR,6aR)-3a-(trifluoromethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

CAS Number:

1251004-14-4

Molecular Formula:

C12H19F3N2O2

Molecular Weight:

280.2867

MDL Number:

MFCD12198715

IUPAC Name:

tert-butyl (3aR,6aR)-3a-(trifluoromethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

InChI:

InChI=1S/C12H19F3N2O2/c1-10(2,3)19-9(18)17-5-8-4-16-6-11(8,7-17)12(13,14)15/h8,16H,4-7H2,1-3H3/t8-,11-/m1/s1

InChI Key:

VFVUFLTVLPGEJW-LDYMZIIASA-N

SMILES:

O=C(N1C[C@@H]2[C@](C1)(CNC2)C(F)(F)F)OC(C)(C)C

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.14g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.291g/mol

Monoisotopic Mass:

280.14g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7