Name: Name:1-[4-(trifluoromethyl)cyclohexyl]ethan-1-one, Mixture of diastereomers
Brand: Angene
SKU: AG01BFXK
Rating: 90 (10 reviews)

1-[4-(trifluoromethyl)cyclohexyl]ethan-1-one, Mixture of diastereomers

CAS No.:

916481-56-6

Catalog Number:

AG01BFXK

Molecular Formula:

C9H13F3O

Molecular Weight:

194.1941

Catalog Number:

AG01BFXK

Chemical Name:

1-[4-(trifluoromethyl)cyclohexyl]ethan-1-one, Mixture of diastereomers

CAS Number:

916481-56-6

Molecular Formula:

C9H13F3O

Molecular Weight:

194.1941

MDL Number:

MFCD21775950

IUPAC Name:

1-[4-(trifluoromethyl)cyclohexyl]ethanone

InChI:

InChI=1S/C9H13F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h7-8H,2-5H2,1H3

InChI Key:

GDSXNCNUMYZWGB-UHFFFAOYSA-N

SMILES:

CC(=O)C1CCC(CC1)C(F)(F)F

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.197g/mol

Monoisotopic Mass:

194.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5