Name: Name:tert-Butyl 3,3-difluoro-4-((methylsulfonyloxy)methyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG01D8QM
Rating: 90 (10 reviews)

tert-Butyl 3,3-difluoro-4-((methylsulfonyloxy)methyl)piperidine-1-carboxylate

CAS No.:

1864060-27-4

Catalog Number:

AG01D8QM

Molecular Formula:

C12H21F2NO5S

Molecular Weight:

329.3606

Catalog Number:

AG01D8QM

Chemical Name:

tert-Butyl 3,3-difluoro-4-((methylsulfonyloxy)methyl)piperidine-1-carboxylate

CAS Number:

1864060-27-4

Molecular Formula:

C12H21F2NO5S

Molecular Weight:

329.3606

MDL Number:

MFCD28155094

IUPAC Name:

tert-butyl 3,3-difluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate

InChI:

InChI=1S/C12H21F2NO5S/c1-11(2,3)20-10(16)15-6-5-9(12(13,14)8-15)7-19-21(4,17)18/h9H,5-8H2,1-4H3

InChI Key:

PDEJTEQYWGXPRP-UHFFFAOYSA-N

SMILES:

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

Complexity:

481

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.359g/mol

Monoisotopic Mass:

329.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6