Name: Name:tert-butyl 5-(trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate
Brand: Angene
SKU: AG01EM96
Rating: 90 (10 reviews)

tert-butyl 5-(trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate

CAS No.:

1378929-70-4

Catalog Number:

AG01EM96

Molecular Formula:

C12H16F3NO3

Molecular Weight:

279.2555

Catalog Number:

AG01EM96

Chemical Name:

tert-butyl 5-(trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate

CAS Number:

1378929-70-4

Molecular Formula:

C12H16F3NO3

Molecular Weight:

279.2555

MDL Number:

MFCD31667008

IUPAC Name:

tert-butyl 5-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C12H16F3NO3/c1-11(2,3)19-10(18)16-6-4-5-8(7-16)9(17)12(13,14)15/h7H,4-6H2,1-3H3

InChI Key:

TUGVELKCSKEUEA-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC(=C1)C(=O)C(F)(F)F)OC(C)(C)C

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.108g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.259g/mol

Monoisotopic Mass:

279.108g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5