Name: Name:tert-butyl 3-bromo-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG01DDL8
Rating: 90 (10 reviews)

tert-butyl 3-bromo-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

CAS No.:

2101206-52-2

Catalog Number:

AG01DDL8

Molecular Formula:

C11H17BrF3NO3

Molecular Weight:

348.1568

Catalog Number:

AG01DDL8

Chemical Name:

tert-butyl 3-bromo-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

CAS Number:

2101206-52-2

Molecular Formula:

C11H17BrF3NO3

Molecular Weight:

348.1568

MDL Number:

MFCD28975667

IUPAC Name:

tert-butyl 3-bromo-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

InChI:

InChI=1S/C11H17BrF3NO3/c1-9(2,3)19-8(17)16-5-4-10(18,7(12)6-16)11(13,14)15/h7,18H,4-6H2,1-3H3

InChI Key:

MTHBKYXJSOPDME-UHFFFAOYSA-N

SMILES:

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

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

347.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.16g/mol

Monoisotopic Mass:

347.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4