5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole

C17H16FNS — CID 58915344

IUPAC5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCSc1ccc(C2CCC(c3ccccc3F)=N2)cc1
InChIInChI=1S/C17H16FNS/c1-20-13-8-6-12(7-9-13)16-10-11-17(19-16)14-4-2-3-5-15(14)18/h2-9,16H,10-11H2,1H3
InChIKeyFTTDJODZGMBKBL-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.87
Rot. Bonds3

About 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole

5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915344) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915344
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCSc1ccc(C2CCC(c3ccccc3F)=N2)cc1
InChIInChI=1S/C17H16FNS/c1-20-13-8-6-12(7-9-13)16-10-11-17(19-16)14-4-2-3-5-15(14)18/h2-9,16H,10-11H2,1H3
InChIKeyFTTDJODZGMBKBL-UHFFFAOYSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole (CID 58915344) is 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole is CSc1ccc(C2CCC(c3ccccc3F)=N2)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is FTTDJODZGMBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-20-13-8-6-12(7-9-13)16-10-11-17(19-16)14-4-2-3-5-15(14)18/h2-9,16H,10-11H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole?
5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 285.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).