Name: Name:tert-Butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG00EL6W
Rating: 90 (10 reviews)

tert-Butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate

CAS No.:

647863-25-0

Catalog Number:

AG00EL6W

Molecular Formula:

C12H16F3NO4

Molecular Weight:

295.2549

Catalog Number:

AG00EL6W

Chemical Name:

tert-Butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate

CAS Number:

647863-25-0

Molecular Formula:

C12H16F3NO4

Molecular Weight:

295.2549

MDL Number:

MFCD23106426

IUPAC Name:

tert-butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate

InChI:

InChI=1S/C12H16F3NO4/c1-11(2,3)20-10(19)16-5-4-7(8(17)6-16)9(18)12(13,14)15/h7H,4-6H2,1-3H3

InChI Key:

FUHZEIWXMXDMSS-UHFFFAOYSA-N

SMILES:

O=C1CN(CCC1C(=O)C(F)(F)F)C(=O)OC(C)(C)C

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.258g/mol

Monoisotopic Mass:

295.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1