1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine

C13H14FNS — CID 155345707

IUPAC1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine
SMILESCC1CCCN1c1cc(F)cc2sccc12
InChIInChI=1S/C13H14FNS/c1-9-3-2-5-15(9)12-7-10(14)8-13-11(12)4-6-16-13/h4,6-9H,2-3,5H2,1H3
InChIKeyFPJTVUGZNPYZCT-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.03
Rot. Bonds1

About 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine

1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine (PubChem CID 155345707) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine
PubChem CID155345707
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine
SMILESCC1CCCN1c1cc(F)cc2sccc12
InChIInChI=1S/C13H14FNS/c1-9-3-2-5-15(9)12-7-10(14)8-13-11(12)4-6-16-13/h4,6-9H,2-3,5H2,1H3
InChIKeyFPJTVUGZNPYZCT-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine (CID 155345707) is 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine is CC1CCCN1c1cc(F)cc2sccc12.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine?
The InChIKey is FPJTVUGZNPYZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-3-2-5-15(9)12-7-10(14)8-13-11(12)4-6-16-13/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine?
1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-4-yl)-2-methylpyrrolidine is sourced from PubChem (CID 155345707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).