About 3-cyclohexyl-5-(difluoromethoxy)-1H-indole
3-cyclohexyl-5-(difluoromethoxy)-1H-indole (PubChem CID 106985011) has the molecular formula C15H17F2NO
and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-cyclohexyl-5-(difluoromethoxy)-1H-indole.
Molecular Properties
| Compound Name | 3-cyclohexyl-5-(difluoromethoxy)-1H-indole |
| PubChem CID | 106985011 |
| Molecular Formula | C15H17F2NO |
| Molecular Weight | 265.30 g/mol |
| Exact Mass | 265.13 |
| IUPAC Name | 3-cyclohexyl-5-(difluoromethoxy)-1H-indole |
| SMILES | FC(F)Oc1ccc2[nH]cc(C3CCCCC3)c2c1 |
| InChI | InChI=1S/C15H17F2NO/c16-15(17)19-11-6-7-14-12(8-11)13(9-18-14)10-4-2-1-3-5-10/h6-10,15,18H,1-5H2 |
| InChIKey | BGIFXDCOWANAIY-UHFFFAOYSA-N |
| XLogP | 4.82 |
| TPSA | 25.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 265.30 |
| LogP ≤ 5 | 4.82 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-cyclohexyl-5-(difluoromethoxy)-1H-indole?
The IUPAC name of 3-cyclohexyl-5-(difluoromethoxy)-1H-indole (CID 106985011) is 3-cyclohexyl-5-(difluoromethoxy)-1H-indole.
What is the SMILES notation for 3-cyclohexyl-5-(difluoromethoxy)-1H-indole?
The canonical SMILES for 3-cyclohexyl-5-(difluoromethoxy)-1H-indole is FC(F)Oc1ccc2[nH]cc(C3CCCCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-5-(difluoromethoxy)-1H-indole?
The InChIKey is BGIFXDCOWANAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c16-15(17)19-11-6-7-14-12(8-11)13(9-18-14)10-4-2-1-3-5-10/h6-10,15,18H,1-5H2.
What are the key properties of 3-cyclohexyl-5-(difluoromethoxy)-1H-indole?
3-cyclohexyl-5-(difluoromethoxy)-1H-indole has a molecular weight of 265.30 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(difluoromethoxy)-1H-indole is sourced from PubChem (CID 106985011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).