Name: Name:{4-[3-(trifluoromethyl)phenyl]oxan-4-yl}methanamine
Brand: Angene
SKU: AG019X0P
Rating: 90 (10 reviews)

{4-[3-(trifluoromethyl)phenyl]oxan-4-yl}methanamine

CAS No.:

1152568-50-7

Catalog Number:

AG019X0P

Molecular Formula:

C13H16F3NO

Molecular Weight:

259.2674

Catalog Number:

AG019X0P

Chemical Name:

{4-[3-(trifluoromethyl)phenyl]oxan-4-yl}methanamine

CAS Number:

1152568-50-7

Molecular Formula:

C13H16F3NO

Molecular Weight:

259.2674

MDL Number:

MFCD10690803

IUPAC Name:

[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methanamine

InChI:

InChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(9-17)4-6-18-7-5-12/h1-3,8H,4-7,9,17H2

InChI Key:

NZZNAYAGPSXRBR-UHFFFAOYSA-N

SMILES:

NCC1(CCOCC1)c1cccc(c1)C(F)(F)F

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.118g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.272g/mol

Monoisotopic Mass:

259.118g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3