Name: Name:tert-Butyl 3,3-difluoro-4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
Brand: Angene
SKU: AG01D8QG
Rating: 90 (10 reviews)

tert-Butyl 3,3-difluoro-4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate

CAS No.:

1823836-00-5

Catalog Number:

AG01D8QG

Molecular Formula:

C12H17F5N2O3

Molecular Weight:

332.2670

Catalog Number:

AG01D8QG

Chemical Name:

tert-Butyl 3,3-difluoro-4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate

CAS Number:

1823836-00-5

Molecular Formula:

C12H17F5N2O3

Molecular Weight:

332.2670

MDL Number:

MFCD28016242

IUPAC Name:

tert-butyl 3,3-difluoro-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate

InChI:

InChI=1S/C12H17F5N2O3/c1-10(2,3)22-9(21)19-5-4-7(11(13,14)6-19)18-8(20)12(15,16)17/h7H,4-6H2,1-3H3,(H,18,20)

InChI Key:

NURAMIQONNYDQP-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(C(C1)(F)F)NC(=O)C(F)(F)F)OC(C)(C)C

Complexity:

445

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.271g/mol

Monoisotopic Mass:

332.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4