1-(4-fluorophenyl)pyrrole-3-carbaldehyde

C11H8FNO — CID 4715098

IUPAC1-(4-fluorophenyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H8FNO/c12-10-1-3-11(4-2-10)13-6-5-9(7-13)8-14/h1-8H
InChIKeyQCWBXIXEJXOSHR-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.43
Rot. Bonds2

About 1-(4-fluorophenyl)pyrrole-3-carbaldehyde

1-(4-fluorophenyl)pyrrole-3-carbaldehyde (PubChem CID 4715098) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)pyrrole-3-carbaldehyde
PubChem CID4715098
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name1-(4-fluorophenyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H8FNO/c12-10-1-3-11(4-2-10)13-6-5-9(7-13)8-14/h1-8H
InChIKeyQCWBXIXEJXOSHR-UHFFFAOYSA-N
XLogP2.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
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 1-(4-fluorophenyl)pyrrole-3-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)pyrrole-3-carbaldehyde (CID 4715098) is 1-(4-fluorophenyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)pyrrole-3-carbaldehyde is O=Cc1ccn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)pyrrole-3-carbaldehyde?
The InChIKey is QCWBXIXEJXOSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c12-10-1-3-11(4-2-10)13-6-5-9(7-13)8-14/h1-8H.
What are the key properties of 1-(4-fluorophenyl)pyrrole-3-carbaldehyde?
1-(4-fluorophenyl)pyrrole-3-carbaldehyde has a molecular weight of 189.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 4715098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).