SDF/Mol File of (R)-Fluoxetine (C17H18F3NO)

Structure Data File (SDF/MOL File) Description

---

chemical table area

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying (R)-Fluoxetine Molecule

• Chemical structure of (R)-Fluoxetine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (R)-Fluoxetine is available in chemical structure page of (R)-Fluoxetine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (R)-Fluoxetine

  The chemical formula of (R)-Fluoxetine is given 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.

• InChI (IUPAC International Chemical Identifier) information of (R)-Fluoxetine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (R)-Fluoxetine is:

  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

  It can provide a standard way to encode the molecular information of (R)-Fluoxetine to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (R)-Fluoxetine is:

  InChIKey=RTHCYVBBDHJXIQ-MRXNPFEDSA-N

  The InChIKey may allow easier web searches for (R)-Fluoxetine, but it needs to be linked to the full InChI to get back to the original structure of the (R)-Fluoxetine since the full standard InChI cannot be reconstructed from the InChIKey.

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

  The (R)-Fluoxetine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (R)-Fluoxetine including the registry numbers are listed below, 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

---

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

What’s the (R)-Fluoxetine formula?
C17H18F3NO
How many atoms and what elements are included in 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 in 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 molar mass?
309.32613 g/mol
What’s the SMILES structure of (R)-Fluoxetine?
CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
What’s the InChI code 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 format of (R)-Fluoxetine?
RTHCYVBBDHJXIQ-MRXNPFEDSA-N

91 The contents of this page can freely be shared if cited as follows:
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).