2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C15H16FNS — CID 165047827

IUPAC2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFc1cc(N2CC3CCCC3C2)c2ccsc2c1
InChIInChI=1S/C15H16FNS/c16-12-6-14(13-4-5-18-15(13)7-12)17-8-10-2-1-3-11(10)9-17/h4-7,10-11H,1-3,8-9H2
InChIKeyPEKUMGUBRXDMMJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.28
Rot. Bonds1

About 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 165047827) has the molecular formula C15H16FNS and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID165047827
Molecular FormulaC15H16FNS
Molecular Weight261.36 g/mol
Exact Mass261.10
IUPAC Name2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFc1cc(N2CC3CCCC3C2)c2ccsc2c1
InChIInChI=1S/C15H16FNS/c16-12-6-14(13-4-5-18-15(13)7-12)17-8-10-2-1-3-11(10)9-17/h4-7,10-11H,1-3,8-9H2
InChIKeyPEKUMGUBRXDMMJ-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 165047827) is 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Fc1cc(N2CC3CCCC3C2)c2ccsc2c1.
What is the InChIKey of 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is PEKUMGUBRXDMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c16-12-6-14(13-4-5-18-15(13)7-12)17-8-10-2-1-3-11(10)9-17/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 261.36 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzothiophen-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 165047827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).