1-prop-1-ynyl-9H-fluorene

C₁₆H₁₂ — CID 151757411

About 1-prop-1-ynyl-9H-fluorene

1-prop-1-ynyl-9H-fluorene (PubChem CID 151757411) has the molecular formula C₁₆H₁₂ and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-prop-1-ynyl-9H-fluorene.

Molecular Properties

• Compound Name: 1-prop-1-ynyl-9H-fluorene
• PubChem CID: 151757411
• Molecular Formula: C₁₆H₁₂
• Molecular Weight: 204.27 g/mol
• Exact Mass: 204.09
• IUPAC Name: 1-prop-1-ynyl-9H-fluorene
• SMILES: CC#Cc1cccc2c1Cc1ccccc1-2
• InChI: InChI=1S/C16H12/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15/h3-5,7-10H,11H2,1H3
• InChIKey: RPVMTQOEZQDAJJ-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 0.00 Ų
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	204.27
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-ynyl-9H-fluorene?

The IUPAC name of 1-prop-1-ynyl-9H-fluorene (CID 151757411) is 1-prop-1-ynyl-9H-fluorene.

What is the SMILES notation for 1-prop-1-ynyl-9H-fluorene?

The canonical SMILES for 1-prop-1-ynyl-9H-fluorene is CC#Cc1cccc2c1Cc1ccccc1-2.

What is the InChIKey of 1-prop-1-ynyl-9H-fluorene?

The InChIKey is RPVMTQOEZQDAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15/h3-5,7-10H,11H2,1H3.

What are the key properties of 1-prop-1-ynyl-9H-fluorene?

1-prop-1-ynyl-9H-fluorene has a molecular weight of 204.27 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-prop-1-ynyl-9H-fluorene is sourced from PubChem (CID 151757411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151757411 — identifiers, structure, computed properties (public domain)

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