Name: Name:1-tert-Butyl 3-ethyl 5,5-difluoro-5,6-dihydropyridine-1,3(2H)-dicarboxylate
Brand: Angene
SKU: AG01D8QR
Rating: 90 (10 reviews)

1-tert-Butyl 3-ethyl 5,5-difluoro-5,6-dihydropyridine-1,3(2H)-dicarboxylate

CAS No.:

1823847-01-3

Catalog Number:

AG01D8QR

Molecular Formula:

C13H19F2NO4

Molecular Weight:

291.2911

Catalog Number:

AG01D8QR

Chemical Name:

1-tert-Butyl 3-ethyl 5,5-difluoro-5,6-dihydropyridine-1,3(2H)-dicarboxylate

CAS Number:

1823847-01-3

Molecular Formula:

C13H19F2NO4

Molecular Weight:

291.2911

MDL Number:

MFCD28016238

IUPAC Name:

1-O-tert-butyl 3-O-ethyl 5,5-difluoro-2,6-dihydropyridine-1,3-dicarboxylate

InChI:

InChI=1S/C13H19F2NO4/c1-5-19-10(17)9-6-13(14,15)8-16(7-9)11(18)20-12(2,3)4/h6H,5,7-8H2,1-4H3

InChI Key:

DBOWFSVUQDKCNZ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=CC(CN(C1)C(=O)OC(C)(C)C)(F)F

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.128g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.295g/mol

Monoisotopic Mass:

291.128g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9