6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione

C11H12FNO2 — CID 123566694

IUPAC6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)C2=CCC(F)C=C21
InChIInChI=1S/C11H12FNO2/c1-6(2)13-9-5-7(12)3-4-8(9)10(14)11(13)15/h4-7H,3H2,1-2H3
InChIKeyCVFQCDGJCNULEE-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.36
Rot. Bonds1

About 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione

6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione (PubChem CID 123566694) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione
PubChem CID123566694
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)C2=CCC(F)C=C21
InChIInChI=1S/C11H12FNO2/c1-6(2)13-9-5-7(12)3-4-8(9)10(14)11(13)15/h4-7H,3H2,1-2H3
InChIKeyCVFQCDGJCNULEE-UHFFFAOYSA-N
XLogP1.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione?
The IUPAC name of 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione (CID 123566694) is 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione?
The canonical SMILES for 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione is CC(C)N1C(=O)C(=O)C2=CCC(F)C=C21.
What is the InChIKey of 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione?
The InChIKey is CVFQCDGJCNULEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-6(2)13-9-5-7(12)3-4-8(9)10(14)11(13)15/h4-7H,3H2,1-2H3.
What are the key properties of 6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione?
6-fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione has a molecular weight of 209.22 g/mol, XLogP of 1.36, 1 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-yl-5,6-dihydroindole-2,3-dione is sourced from PubChem (CID 123566694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).