2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone

C17H15FOS — CID 43232259

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C17H15FOS/c18-15-7-4-13(5-8-15)17(19)11-20-16-9-6-12-2-1-3-14(12)10-16/h4-10H,1-3,11H2
InChIKeyLYYZIERRLIFQHC-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.29
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone (PubChem CID 43232259) has the molecular formula C17H15FOS and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
PubChem CID43232259
Molecular FormulaC17H15FOS
Molecular Weight286.37 g/mol
Exact Mass286.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)c1ccc(F)cc1
InChIInChI=1S/C17H15FOS/c18-15-7-4-13(5-8-15)17(19)11-20-16-9-6-12-2-1-3-14(12)10-16/h4-10H,1-3,11H2
InChIKeyLYYZIERRLIFQHC-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone (CID 43232259) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone is O=C(CSc1ccc2c(c1)CCC2)c1ccc(F)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone?
The InChIKey is LYYZIERRLIFQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FOS/c18-15-7-4-13(5-8-15)17(19)11-20-16-9-6-12-2-1-3-14(12)10-16/h4-10H,1-3,11H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone has a molecular weight of 286.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 43232259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).