1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde

C11H6F3NO — CID 142674927

IUPAC1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H6F3NO/c12-7-4-9(13)11(10(14)5-7)15-3-1-2-8(15)6-16/h1-6H
InChIKeyMTNQTXHBQIMAII-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde

1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde (PubChem CID 142674927) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde
PubChem CID142674927
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H6F3NO/c12-7-4-9(13)11(10(14)5-7)15-3-1-2-8(15)6-16/h1-6H
InChIKeyMTNQTXHBQIMAII-UHFFFAOYSA-N
XLogP2.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.71
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-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde (CID 142674927) is 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde?
The InChIKey is MTNQTXHBQIMAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-7-4-9(13)11(10(14)5-7)15-3-1-2-8(15)6-16/h1-6H.
What are the key properties of 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde?
1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde has a molecular weight of 225.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 142674927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).