Name: Name:tert-butyl4-(trifluoromethyl)-5,6-dihydropyridine-1(2H)-carboxylate-B28582
Brand: Angene
SKU: AG019G4I
Rating: 90 (10 reviews)

tert-butyl4-(trifluoromethyl)-5,6-dihydropyridine-1(2H)-carboxylate-B28582

CAS No.:

291289-18-4

Catalog Number:

AG019G4I

Molecular Formula:

C11H16F3NO2

Molecular Weight:

251.2454

Catalog Number:

AG019G4I

Chemical Name:

tert-butyl4-(trifluoromethyl)-5,6-dihydropyridine-1(2H)-carboxylate-B28582

CAS Number:

291289-18-4

Molecular Formula:

C11H16F3NO2

Molecular Weight:

251.2454

MDL Number:

MFCD28967983

IUPAC Name:

tert-butyl 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C11H16F3NO2/c1-10(2,3)17-9(16)15-6-4-8(5-7-15)11(12,13)14/h4H,5-7H2,1-3H3

InChI Key:

HJGCURJSUUAGIT-UHFFFAOYSA-N

SMILES:

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

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.113g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.249g/mol

Monoisotopic Mass:

251.113g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2