9-fluoronona-4,6,8-triyne-2,3-dione

C9H3FO2 — CID 59660639

IUPAC9-fluoronona-4,6,8-triyne-2,3-dione
SMILESCC(=O)C(=O)C#CC#CC#CF
InChIInChI=1S/C9H3FO2/c1-8(11)9(12)6-4-2-3-5-7-10/h1H3
InChIKeyZACMACZUFOHZGD-UHFFFAOYSA-N
MW162.12 g/mol
LogP0.08
Rot. Bonds1

About 9-fluoronona-4,6,8-triyne-2,3-dione

9-fluoronona-4,6,8-triyne-2,3-dione (PubChem CID 59660639) has the molecular formula C9H3FO2 and a molecular weight of 162.12 g/mol. Its IUPAC name is 9-fluoronona-4,6,8-triyne-2,3-dione.

Molecular Properties

Compound Name9-fluoronona-4,6,8-triyne-2,3-dione
PubChem CID59660639
Molecular FormulaC9H3FO2
Molecular Weight162.12 g/mol
Exact Mass162.01
IUPAC Name9-fluoronona-4,6,8-triyne-2,3-dione
SMILESCC(=O)C(=O)C#CC#CC#CF
InChIInChI=1S/C9H3FO2/c1-8(11)9(12)6-4-2-3-5-7-10/h1H3
InChIKeyZACMACZUFOHZGD-UHFFFAOYSA-N
XLogP0.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-fluoronona-4,6,8-triyne-2,3-dione?
The IUPAC name of 9-fluoronona-4,6,8-triyne-2,3-dione (CID 59660639) is 9-fluoronona-4,6,8-triyne-2,3-dione.
What is the SMILES notation for 9-fluoronona-4,6,8-triyne-2,3-dione?
The canonical SMILES for 9-fluoronona-4,6,8-triyne-2,3-dione is CC(=O)C(=O)C#CC#CC#CF.
What is the InChIKey of 9-fluoronona-4,6,8-triyne-2,3-dione?
The InChIKey is ZACMACZUFOHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3FO2/c1-8(11)9(12)6-4-2-3-5-7-10/h1H3.
What are the key properties of 9-fluoronona-4,6,8-triyne-2,3-dione?
9-fluoronona-4,6,8-triyne-2,3-dione has a molecular weight of 162.12 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoronona-4,6,8-triyne-2,3-dione is sourced from PubChem (CID 59660639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).