4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde

C11H8FNO — CID 25215147

IUPAC4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(F)c(-c2ccccc2)[nH]1
InChIInChI=1S/C11H8FNO/c12-10-6-9(7-14)13-11(10)8-4-2-1-3-5-8/h1-7,13H
InChIKeyWIZVTNBNNUPYBW-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.63
Rot. Bonds2

About 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde

4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde (PubChem CID 25215147) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde
PubChem CID25215147
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(F)c(-c2ccccc2)[nH]1
InChIInChI=1S/C11H8FNO/c12-10-6-9(7-14)13-11(10)8-4-2-1-3-5-8/h1-7,13H
InChIKeyWIZVTNBNNUPYBW-UHFFFAOYSA-N
XLogP2.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde (CID 25215147) is 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde is O=Cc1cc(F)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is WIZVTNBNNUPYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c12-10-6-9(7-14)13-11(10)8-4-2-1-3-5-8/h1-7,13H.
What are the key properties of 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde?
4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 189.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-phenyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 25215147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).