Formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride (C6F12O2)
Identification of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride Chemical Compound
| Chemical Formula | C6F12O2 |
|---|---|
| Molecular Weight | 332.04384 g/mol |
| IUPAC Name | 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride |
| SMILES String | FC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F |
| InChI | InChI=1S/C6F12O2/c7-1(19)2(8,9)3(10,11)5(15,16)20-6(17,18)4(12,13)14 |
| InChIKey | PERBJFGBTZXMMX-UHFFFAOYSA-N |
Chemical Formula Description
The 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride molecule contains a total of 20 atom(s). There are 6 Carbon atom(s), 2 Oxygen atom(s), and 12 Fluorine atom(s). A chemical formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride can therefore be written as:
C6F12O2
The chemical formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride Molecule
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Structure Data File (SDF/MOL File) of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The structure data file (SDF/MOL File) of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is available for download in the SDF page of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride providing the information about the atoms, bonds, connectivity and coordinates of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride, which is not completely available in the chemical formula representation. The 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The chemical structure image of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is available in chemical structure page of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride and the chemical bonds that hold the atoms together.
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Molecular weight of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The molecular weight of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is available in molecular weight page of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride.
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InChI (IUPAC International Chemical Identifier) information of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is:
InChI=1S/C6F12O2/c7-1(19)2(8,9)3(10,11)5(15,16)20-6(17,18)4(12,13)14
It can provide a standard way to encode the molecular information of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride 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 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is:
InChIKey=PERBJFGBTZXMMX-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride, but it needs to be linked to the full InChI to get back to the original structure of the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride including the registry numbers is given below, if available:
None available.
2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
|---|
| C6F12O2 |
| How many atoms and what are they in the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride structure? |
| 20 atom(s) - 6 Carbon atom(s), 2 Oxygen atom(s), and 12 Fluorine atom(s) |
| How many chemical bonds and what are they in the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride structure? |
| 19 bond(s) - 19 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 acyl halogenide(s) (aliphatic), and 1 ether(s) (aliphatic) |
| What’s the molecular weight of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
| 332.04384 g/mol |
| What’s the SMILES string of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
| FC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F |
| What’s the InChI of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
| InChI=1S/C6F12O2/c7-1(19)2(8,9)3(10,11)5(15,16)20-6(17,18)4(12,13)14 |
| What’s the InChIKey of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
| PERBJFGBTZXMMX-UHFFFAOYSA-N |
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