3-decanoyl-5-fluoroindol-2-one

C18H22FNO2 — CID 118321590

IUPAC3-decanoyl-5-fluoroindol-2-one
SMILESCCCCCCCCCC(=O)C1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C18H22FNO2/c1-2-3-4-5-6-7-8-9-16(21)17-14-12-13(19)10-11-15(14)20-18(17)22/h10-12H,2-9H2,1H3
InChIKeyRDPZUIIATVMIJD-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.85
Rot. Bonds9

About 3-decanoyl-5-fluoroindol-2-one

3-decanoyl-5-fluoroindol-2-one (PubChem CID 118321590) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-decanoyl-5-fluoroindol-2-one.

Molecular Properties

Compound Name3-decanoyl-5-fluoroindol-2-one
PubChem CID118321590
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name3-decanoyl-5-fluoroindol-2-one
SMILESCCCCCCCCCC(=O)C1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C18H22FNO2/c1-2-3-4-5-6-7-8-9-16(21)17-14-12-13(19)10-11-15(14)20-18(17)22/h10-12H,2-9H2,1H3
InChIKeyRDPZUIIATVMIJD-UHFFFAOYSA-N
XLogP2.85
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decanoyl-5-fluoroindol-2-one?
The IUPAC name of 3-decanoyl-5-fluoroindol-2-one (CID 118321590) is 3-decanoyl-5-fluoroindol-2-one.
What is the SMILES notation for 3-decanoyl-5-fluoroindol-2-one?
The canonical SMILES for 3-decanoyl-5-fluoroindol-2-one is CCCCCCCCCC(=O)C1=c2cc(F)ccc2=NC1=O.
What is the InChIKey of 3-decanoyl-5-fluoroindol-2-one?
The InChIKey is RDPZUIIATVMIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-3-4-5-6-7-8-9-16(21)17-14-12-13(19)10-11-15(14)20-18(17)22/h10-12H,2-9H2,1H3.
What are the key properties of 3-decanoyl-5-fluoroindol-2-one?
3-decanoyl-5-fluoroindol-2-one has a molecular weight of 303.38 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyl-5-fluoroindol-2-one is sourced from PubChem (CID 118321590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).