About 2-ethyl-4-(3-fluorophenyl)-1H-indene
2-ethyl-4-(3-fluorophenyl)-1H-indene (PubChem CID 173192641) has the molecular formula C17H15F
and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-ethyl-4-(3-fluorophenyl)-1H-indene.
Molecular Properties
| Compound Name | 2-ethyl-4-(3-fluorophenyl)-1H-indene |
| PubChem CID | 173192641 |
| Molecular Formula | C17H15F |
| Molecular Weight | 238.31 g/mol |
| Exact Mass | 238.12 |
| IUPAC Name | 2-ethyl-4-(3-fluorophenyl)-1H-indene |
| SMILES | CCC1=Cc2c(cccc2-c2cccc(F)c2)C1 |
| InChI | InChI=1S/C17H15F/c1-2-12-9-13-6-4-8-16(17(13)10-12)14-5-3-7-15(18)11-14/h3-8,10-11H,2,9H2,1H3 |
| InChIKey | BJRDWSPHFDUFGI-UHFFFAOYSA-N |
| XLogP | 4.84 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.31 |
| LogP ≤ 5 | 4.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-4-(3-fluorophenyl)-1H-indene?
The IUPAC name of 2-ethyl-4-(3-fluorophenyl)-1H-indene (CID 173192641) is 2-ethyl-4-(3-fluorophenyl)-1H-indene.
What is the SMILES notation for 2-ethyl-4-(3-fluorophenyl)-1H-indene?
The canonical SMILES for 2-ethyl-4-(3-fluorophenyl)-1H-indene is CCC1=Cc2c(cccc2-c2cccc(F)c2)C1.
What is the InChIKey of 2-ethyl-4-(3-fluorophenyl)-1H-indene?
The InChIKey is BJRDWSPHFDUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F/c1-2-12-9-13-6-4-8-16(17(13)10-12)14-5-3-7-15(18)11-14/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 2-ethyl-4-(3-fluorophenyl)-1H-indene?
2-ethyl-4-(3-fluorophenyl)-1H-indene has a molecular weight of 238.31 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-fluorophenyl)-1H-indene is sourced from PubChem (CID 173192641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).