Name: Name:benzyl 1-(2,2,2-trifluoroethyl)azetidine-3-carboxylate
Brand: Angene
SKU: AG01ACJ1
Rating: 90 (10 reviews)

benzyl 1-(2,2,2-trifluoroethyl)azetidine-3-carboxylate

CAS No.:

1803583-78-9

Catalog Number:

AG01ACJ1

Molecular Formula:

C13H14F3NO2

Molecular Weight:

273.2510

Catalog Number:

AG01ACJ1

Chemical Name:

benzyl 1-(2,2,2-trifluoroethyl)azetidine-3-carboxylate

CAS Number:

1803583-78-9

Molecular Formula:

C13H14F3NO2

Molecular Weight:

273.2510

MDL Number:

MFCD26936045

IUPAC Name:

benzyl 1-(2,2,2-trifluoroethyl)azetidine-3-carboxylate

InChI:

InChI=1S/C13H14F3NO2/c14-13(15,16)9-17-6-11(7-17)12(18)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChI Key:

BCXSUFWPVXJGDR-UHFFFAOYSA-N

SMILES:

O=C(C1CN(C1)CC(F)(F)F)OCc1ccccc1

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.255g/mol

Monoisotopic Mass:

273.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5