6-fluoro-1-propan-2-ylindole-2-carbaldehyde

C₁₂H₁₂FNO — CID 117122831

About 6-fluoro-1-propan-2-ylindole-2-carbaldehyde

6-fluoro-1-propan-2-ylindole-2-carbaldehyde (PubChem CID 117122831) has the molecular formula C₁₂H₁₂FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluoro-1-propan-2-ylindole-2-carbaldehyde.

Molecular Properties

• Compound Name: 6-fluoro-1-propan-2-ylindole-2-carbaldehyde
• PubChem CID: 117122831
• Molecular Formula: C₁₂H₁₂FNO
• Molecular Weight: 205.23 g/mol
• Exact Mass: 205.09
• IUPAC Name: 6-fluoro-1-propan-2-ylindole-2-carbaldehyde
• SMILES: CC(C)n1c(C=O)cc2ccc(F)cc21
• InChI: InChI=1S/C12H12FNO/c1-8(2)14-11(7-15)5-9-3-4-10(13)6-12(9)14/h3-8H,1-2H3
• InChIKey: SLFGRJPTWGVMFT-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.23
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?

The IUPAC name of 6-fluoro-1-propan-2-ylindole-2-carbaldehyde (CID 117122831) is 6-fluoro-1-propan-2-ylindole-2-carbaldehyde.

What is the SMILES notation for 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?

The canonical SMILES for 6-fluoro-1-propan-2-ylindole-2-carbaldehyde is CC(C)n1c(C=O)cc2ccc(F)cc21.

What is the InChIKey of 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?

The InChIKey is SLFGRJPTWGVMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8(2)14-11(7-15)5-9-3-4-10(13)6-12(9)14/h3-8H,1-2H3.

What are the key properties of 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?

6-fluoro-1-propan-2-ylindole-2-carbaldehyde has a molecular weight of 205.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-propan-2-ylindole-2-carbaldehyde is sourced from PubChem (CID 117122831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117122831 — identifiers, structure, computed properties (public domain)

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