Name: Name:methyl 5-(trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate
Brand: Angene
SKU: AG01EM40
Rating: 90 (10 reviews)

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

CAS No.:

1378929-71-5

Catalog Number:

AG01EM40

Molecular Formula:

C9H10F3NO3

Molecular Weight:

237.1758

Catalog Number:

AG01EM40

Chemical Name:

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

CAS Number:

1378929-71-5

Molecular Formula:

C9H10F3NO3

Molecular Weight:

237.1758

MDL Number:

MFCD31612748

IUPAC Name:

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

InChI:

InChI=1S/C9H10F3NO3/c1-16-8(15)13-4-2-3-6(5-13)7(14)9(10,11)12/h5H,2-4H2,1H3

InChI Key:

FRIWAWQSGQHMKL-UHFFFAOYSA-N

SMILES:

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

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.178g/mol

Monoisotopic Mass:

237.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5