SDF/Mol File of Tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine (C15H21F2NO)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine Molecule

• Chemical structure of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is available in chemical structure page of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The molecular weight of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is available in molecular weight page of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine, 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 tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The chemical formula of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is given in chemical formula page of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine, 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 tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is:

  InChI=1S/C15H21F2NO/c1-15(2,3)18-9-10-4-5-19-14(10)11-6-12(16)8-13(17)7-11/h6-8,10,14,18H,4-5,9H2,1-3H3

  It can provide a standard way to encode the molecular information of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine 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 tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is:

  InChIKey=SZYQEWUKJBNEOP-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine, but it needs to be linked to the full InChI to get back to the original structure of the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine including the registry numbers are listed below, if available:

  
  
  None available.

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Tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine Identification Summary Frequently Asked Questions (FAQs)

What’s the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine formula?
C15H21F2NO
How many atoms and what elements are included in the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine molecule?
40 atom(s) - 21 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 2 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine structure?
41 bond(s) - 20 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine’s molar mass?
269.330146 g/mol
What’s the SMILES structure of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine?
CC(C)(C)NCC1CCOC1c2cc(F)cc(F)c2
What’s the InChI code of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine?
InChI=1S/C15H21F2NO/c1-15(2,3)18-9-10-4-5-19-14(10)11-6-12(16)8-13(17)7-11/h6-8,10,14,18H,4-5,9H2,1-3H3
What’s the InChIKey format of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine?
SZYQEWUKJBNEOP-UHFFFAOYSA-N

41 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).