5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C19H24FNS — CID 57274160

IUPAC5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCCCC(c1ccccc1F)N1CCc2sccc2C1
InChIInChI=1S/C19H24FNS/c1-2-3-4-9-18(16-7-5-6-8-17(16)20)21-12-10-19-15(14-21)11-13-22-19/h5-8,11,13,18H,2-4,9-10,12,14H2,1H3
InChIKeyHQOGEUYHDOLWHW-UHFFFAOYSA-N
MW317.47 g/mol
LogP5.57
Rot. Bonds6

About 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 57274160) has the molecular formula C19H24FNS and a molecular weight of 317.47 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID57274160
Molecular FormulaC19H24FNS
Molecular Weight317.47 g/mol
Exact Mass317.16
IUPAC Name5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCCCC(c1ccccc1F)N1CCc2sccc2C1
InChIInChI=1S/C19H24FNS/c1-2-3-4-9-18(16-7-5-6-8-17(16)20)21-12-10-19-15(14-21)11-13-22-19/h5-8,11,13,18H,2-4,9-10,12,14H2,1H3
InChIKeyHQOGEUYHDOLWHW-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 57274160) is 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCCCCC(c1ccccc1F)N1CCc2sccc2C1.
What is the InChIKey of 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is HQOGEUYHDOLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNS/c1-2-3-4-9-18(16-7-5-6-8-17(16)20)21-12-10-19-15(14-21)11-13-22-19/h5-8,11,13,18H,2-4,9-10,12,14H2,1H3.
What are the key properties of 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 317.47 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 57274160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).