SDF/Mol File of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane (C6F12O)
Identification of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane Chemical Compound
| Chemical Formula | C6F12O |
|---|---|
| Molecular Weight | 316.04444 g/mol |
| IUPAC Name | (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane |
| SMILES String | FC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)F |
| InChI | InChI=1S/C6F12O/c7-1(4(11,12)13)2(8,9)6(17,18)19-3(1,10)5(14,15)16/t1-,3-/m0/s1 |
| InChIKey | RKDJEBCIRNHOLJ-VRKGVYIXSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Additional Information for Identifying (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane Molecule
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Chemical structure of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane is available in chemical structure page of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
The molecular weight of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane is available in molecular weight page of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
The chemical formula of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane is given in chemical formula page of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane is:
InChI=1S/C6F12O/c7-1(4(11,12)13)2(8,9)6(17,18)19-3(1,10)5(14,15)16/t1-,3-/m0/s1
It can provide a standard way to encode the molecular information of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane 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 (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane is:
InChIKey=RKDJEBCIRNHOLJ-VRKGVYIXSA-N
The InChIKey may allow easier web searches for (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane, but it needs to be linked to the full InChI to get back to the original structure of the (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
The (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane including the registry numbers are listed below, if available:
None available.
(4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane Identification Summary Frequently Asked Questions (FAQs)
| What’s the (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane formula? |
|---|
| C6F12O |
| How many atoms and what elements are included in the (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane molecule? |
| 19 atom(s) - 6 Carbon atom(s), 1 Oxygen atom(s), and 12 Fluorine atom(s) |
| How many chemical bonds and what kind of bonds are in the (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane structure? |
| 19 bond(s) - 19 non-H bond(s), 1 five-membered ring(s), 1 ether(s) (aliphatic), and 1 Oxolane(s) |
| What’s the (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane’s molar mass? |
| 316.04444 g/mol |
| What’s the SMILES structure of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane? |
| FC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)F |
| What’s the InChI code of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane? |
| InChI=1S/C6F12O/c7-1(4(11,12)13)2(8,9)6(17,18)19-3(1,10)5(14,15)16/t1-,3-/m0/s1 |
| What’s the InChIKey format of (4R,5R)-2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane? |
| RKDJEBCIRNHOLJ-VRKGVYIXSA-N |
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