Name: Name:tert-butyl 4-(cyanomethyl)-3,3-difluoropiperidine-1-carboxylate
Brand: Angene
SKU: AG01EJT9
Rating: 90 (10 reviews)

tert-butyl 4-(cyanomethyl)-3,3-difluoropiperidine-1-carboxylate

CAS No.:

1781075-36-2

Catalog Number:

AG01EJT9

Molecular Formula:

C12H18F2N2O2

Molecular Weight:

260.2803

Catalog Number:

AG01EJT9

Chemical Name:

tert-butyl 4-(cyanomethyl)-3,3-difluoropiperidine-1-carboxylate

CAS Number:

1781075-36-2

Molecular Formula:

C12H18F2N2O2

Molecular Weight:

260.2803

MDL Number:

MFCD31667060

IUPAC Name:

tert-butyl 4-(cyanomethyl)-3,3-difluoropiperidine-1-carboxylate

InChI:

InChI=1S/C12H18F2N2O2/c1-11(2,3)18-10(17)16-7-5-9(4-6-15)12(13,14)8-16/h9H,4-5,7-8H2,1-3H3

InChI Key:

SIPFKQBCHBXCOL-UHFFFAOYSA-N

SMILES:

N#CCC1CCN(CC1(F)F)C(=O)OC(C)(C)C

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.285g/mol

Monoisotopic Mass:

260.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9