Name: Name:tert-butyl 4-(3,3,3-trifluoro-2-oxopropyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG00IL5S
Rating: 90 (10 reviews)

tert-butyl 4-(3,3,3-trifluoro-2-oxopropyl)piperidine-1-carboxylate

CAS No.:

1228631-18-2

Catalog Number:

AG00IL5S

Molecular Formula:

C13H20F3NO3

Molecular Weight:

295.2980

Catalog Number:

AG00IL5S

Chemical Name:

tert-butyl 4-(3,3,3-trifluoro-2-oxopropyl)piperidine-1-carboxylate

CAS Number:

1228631-18-2

Molecular Formula:

C13H20F3NO3

Molecular Weight:

295.2980

MDL Number:

MFCD16618526

IUPAC Name:

tert-butyl 4-(3,3,3-trifluoro-2-oxopropyl)piperidine-1-carboxylate

InChI:

InChI=1S/C13H20F3NO3/c1-12(2,3)20-11(19)17-6-4-9(5-7-17)8-10(18)13(14,15)16/h9H,4-8H2,1-3H3

InChI Key:

NOISIVWXJWZBLE-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)CC(=O)C(F)(F)F)OC(C)(C)C

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.14g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.302g/mol

Monoisotopic Mass:

295.14g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6