6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde

C7H4FNOS — CID 88977611

IUPAC6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
SMILESO=Cc1[nH]c2ccsc2c1F
InChIInChI=1S/C7H4FNOS/c8-6-5(3-10)9-4-1-2-11-7(4)6/h1-3,9H
InChIKeyOFSKEGLQQMVTFO-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.18
Rot. Bonds1

About 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde

6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde (PubChem CID 88977611) has the molecular formula C7H4FNOS and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
PubChem CID88977611
Molecular FormulaC7H4FNOS
Molecular Weight169.18 g/mol
Exact Mass169.00
IUPAC Name6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
SMILESO=Cc1[nH]c2ccsc2c1F
InChIInChI=1S/C7H4FNOS/c8-6-5(3-10)9-4-1-2-11-7(4)6/h1-3,9H
InChIKeyOFSKEGLQQMVTFO-UHFFFAOYSA-N
XLogP2.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
The IUPAC name of 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde (CID 88977611) is 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde.
What is the SMILES notation for 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
The canonical SMILES for 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde is O=Cc1[nH]c2ccsc2c1F.
What is the InChIKey of 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
The InChIKey is OFSKEGLQQMVTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNOS/c8-6-5(3-10)9-4-1-2-11-7(4)6/h1-3,9H.
What are the key properties of 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde has a molecular weight of 169.18 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde is sourced from PubChem (CID 88977611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).