1-fluoropyrrole-3-carbaldehyde

C5H4FNO — CID 141433623

IUPAC1-fluoropyrrole-3-carbaldehyde
SMILESO=Cc1ccn(F)c1
InChIInChI=1S/C5H4FNO/c6-7-2-1-5(3-7)4-8/h1-4H
InChIKeyQYPUCLSGEXRXHG-UHFFFAOYSA-N
MW113.09 g/mol
LogP1.03
Rot. Bonds1

About 1-fluoropyrrole-3-carbaldehyde

1-fluoropyrrole-3-carbaldehyde (PubChem CID 141433623) has the molecular formula C5H4FNO and a molecular weight of 113.09 g/mol. Its IUPAC name is 1-fluoropyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-fluoropyrrole-3-carbaldehyde
PubChem CID141433623
Molecular FormulaC5H4FNO
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name1-fluoropyrrole-3-carbaldehyde
SMILESO=Cc1ccn(F)c1
InChIInChI=1S/C5H4FNO/c6-7-2-1-5(3-7)4-8/h1-4H
InChIKeyQYPUCLSGEXRXHG-UHFFFAOYSA-N
XLogP1.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 51.03
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-fluoropyrrole-3-carbaldehyde?
The IUPAC name of 1-fluoropyrrole-3-carbaldehyde (CID 141433623) is 1-fluoropyrrole-3-carbaldehyde.
What is the SMILES notation for 1-fluoropyrrole-3-carbaldehyde?
The canonical SMILES for 1-fluoropyrrole-3-carbaldehyde is O=Cc1ccn(F)c1.
What is the InChIKey of 1-fluoropyrrole-3-carbaldehyde?
The InChIKey is QYPUCLSGEXRXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO/c6-7-2-1-5(3-7)4-8/h1-4H.
What are the key properties of 1-fluoropyrrole-3-carbaldehyde?
1-fluoropyrrole-3-carbaldehyde has a molecular weight of 113.09 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrrole-3-carbaldehyde is sourced from PubChem (CID 141433623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).