Structure & Deep Data of Rac Fmoc-trifluoromethylalanine (C18H14F3NO4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The rac Fmoc-trifluoromethylalanine molecule contains a total of 42 bond(s). There are 28 non-H bond(s), 14 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of rac Fmoc-trifluoromethylalanine are given below:

The 2D chemical structure image of rac Fmoc-trifluoromethylalanine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of rac Fmoc-trifluoromethylalanine 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 rac Fmoc-trifluoromethylalanine 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 rac Fmoc-trifluoromethylalanine. Download structure data file (SDF/MOL) file of this compound.

---

Search Another Chemical Structure

Enter another compound to search for chemical structure:

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 Rac Fmoc-trifluoromethylalanine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of rac Fmoc-trifluoromethylalanine

  The SMILES string of rac Fmoc-trifluoromethylalanine is OC(=O)C(NC(=O)OCC2c1ccccc1c3ccccc23)C(F)(F)F, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the rac Fmoc-trifluoromethylalanine.

• Structure Data File (SDF/MOL File) of rac Fmoc-trifluoromethylalanine

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

• Chemical formula of rac Fmoc-trifluoromethylalanine

  The molecular formula of rac Fmoc-trifluoromethylalanine is available in chemical formula page of rac Fmoc-trifluoromethylalanine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of rac Fmoc-trifluoromethylalanine

  The molecular weight of rac Fmoc-trifluoromethylalanine is available in molecular weight page of rac Fmoc-trifluoromethylalanine, 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 rac Fmoc-trifluoromethylalanine

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

  • 2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-3,3,3-TRIFLUOROPROPANOIC ACID
  • N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-3,3,3-trifluoroalanine
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,3,3-trifluoroalanine
  • 1219349-78-6
  • rac Fmoc-trifluoromethylalanine

---

Rac Fmoc-trifluoromethylalanine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of rac Fmoc-trifluoromethylalanine?
C18H14F3NO4
How many atoms and what are the elements included the rac Fmoc-trifluoromethylalanine molecule?
40 atom(s) - 14 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), 4 Oxygen atom(s), and 3 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the rac Fmoc-trifluoromethylalanine structure?
42 bond(s) - 28 non-H bond(s), 14 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s)
What’s the rac Fmoc-trifluoromethylalanine’s molecular weight?
365.30327 g/mol
What’s the SMILES code of rac Fmoc-trifluoromethylalanine?
OC(=O)C(NC(=O)OCC2c1ccccc1c3ccccc23)C(F)(F)F
What’s the InChI string of rac Fmoc-trifluoromethylalanine?
InChI=1S/C18H14F3NO4/c19-18(20,21)15(16(23)24)22-17(25)26-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2,(H,22,25)(H,23,24)
What’s the InChIKey code of rac Fmoc-trifluoromethylalanine?
GSEIXNCKLHONCZ-UHFFFAOYSA-N

24 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).