2-fluoroindole-2-carbaldehyde

C9H6FNO — CID 174450665

IUPAC2-fluoroindole-2-carbaldehyde
SMILESO=CC1(F)C=c2ccccc2=N1
InChIInChI=1S/C9H6FNO/c10-9(6-12)5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyMGJHJYNUJDDMLC-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.04
Rot. Bonds1

About 2-fluoroindole-2-carbaldehyde

2-fluoroindole-2-carbaldehyde (PubChem CID 174450665) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 2-fluoroindole-2-carbaldehyde.

Molecular Properties

Compound Name2-fluoroindole-2-carbaldehyde
PubChem CID174450665
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name2-fluoroindole-2-carbaldehyde
SMILESO=CC1(F)C=c2ccccc2=N1
InChIInChI=1S/C9H6FNO/c10-9(6-12)5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyMGJHJYNUJDDMLC-UHFFFAOYSA-N
XLogP-0.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroindole-2-carbaldehyde?
The IUPAC name of 2-fluoroindole-2-carbaldehyde (CID 174450665) is 2-fluoroindole-2-carbaldehyde.
What is the SMILES notation for 2-fluoroindole-2-carbaldehyde?
The canonical SMILES for 2-fluoroindole-2-carbaldehyde is O=CC1(F)C=c2ccccc2=N1.
What is the InChIKey of 2-fluoroindole-2-carbaldehyde?
The InChIKey is MGJHJYNUJDDMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-9(6-12)5-7-3-1-2-4-8(7)11-9/h1-6H.
What are the key properties of 2-fluoroindole-2-carbaldehyde?
2-fluoroindole-2-carbaldehyde has a molecular weight of 163.15 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroindole-2-carbaldehyde is sourced from PubChem (CID 174450665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).