Structure & Deep Data of (R)-Fluoxetine (C17H18F3NO)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (R)-Fluoxetine molecule contains a total of 41 bond(s). There are 23 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 ether(s) (aromatic). Images of the chemical structure of (R)-Fluoxetine are given below:

The 2D chemical structure image of (R)-Fluoxetine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (R)-Fluoxetine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of (R)-Fluoxetine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (R)-Fluoxetine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (R)-Fluoxetine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (R)-Fluoxetine

  The SMILES string of (R)-Fluoxetine is CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (R)-Fluoxetine.

• Structure Data File (SDF/MOL File) of (R)-Fluoxetine

  The structure data file (SDF/MOL File) of (R)-Fluoxetine is available for download in the SDF page of (R)-Fluoxetine, which provides the information about the atoms, bonds, connectivity and coordinates of (R)-Fluoxetine. The (R)-Fluoxetine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (R)-Fluoxetine

  The molecular formula of (R)-Fluoxetine is available in chemical formula page of (R)-Fluoxetine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (R)-Fluoxetine

  The molecular weight of (R)-Fluoxetine is available in molecular weight page of (R)-Fluoxetine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of (R)-Fluoxetine

  The (R)-Fluoxetine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (R)-Fluoxetine including the various registry numbers, if available:

  • (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine
  • Methyl-[(R)-3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine
  • (R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine
  • (R)-N-Methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine
  • (R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine
  • I14-41855
  • A830402
  • CCG-204576
  • Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (gammaR)-
  • Fluoxetine, (R)-

  • (R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine
  • (R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine
  • 100568-03-4
  • (R)-(+)-fluoxetine
  • (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
  • (R)-Fluoxetine
  • BDBM50136166
  • F279341RUQ
  • BIDD:GT0614
  • (R)-Prozac

  • RFX
  • (+)-fluoxetine
  • (R)-(+/-)-Fluoxetine

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(R)-Fluoxetine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (R)-Fluoxetine?
C17H18F3NO
How many atoms and what are the elements included the (R)-Fluoxetine molecule?
40 atom(s) - 18 Hydrogen atom(s), 17 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 3 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the (R)-Fluoxetine structure?
41 bond(s) - 23 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 ether(s) (aromatic)
What’s the (R)-Fluoxetine’s molecular weight?
309.32613 g/mol
What’s the SMILES code of (R)-Fluoxetine?
CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
What’s the InChI string of (R)-Fluoxetine?
InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
What’s the InChIKey code of (R)-Fluoxetine?
RTHCYVBBDHJXIQ-MRXNPFEDSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).