5-fluoro-2-propylindol-3-one

C11H10FNO — CID 163409590

IUPAC5-fluoro-2-propylindol-3-one
SMILESCCCC1=Nc2ccc(F)cc2C1=O
InChIInChI=1S/C11H10FNO/c1-2-3-10-11(14)8-6-7(12)4-5-9(8)13-10/h4-6H,2-3H2,1H3
InChIKeyPIJXEMKBKYNBAV-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.89
Rot. Bonds2

About 5-fluoro-2-propylindol-3-one

5-fluoro-2-propylindol-3-one (PubChem CID 163409590) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 5-fluoro-2-propylindol-3-one.

Molecular Properties

Compound Name5-fluoro-2-propylindol-3-one
PubChem CID163409590
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name5-fluoro-2-propylindol-3-one
SMILESCCCC1=Nc2ccc(F)cc2C1=O
InChIInChI=1S/C11H10FNO/c1-2-3-10-11(14)8-6-7(12)4-5-9(8)13-10/h4-6H,2-3H2,1H3
InChIKeyPIJXEMKBKYNBAV-UHFFFAOYSA-N
XLogP2.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propylindol-3-one?
The IUPAC name of 5-fluoro-2-propylindol-3-one (CID 163409590) is 5-fluoro-2-propylindol-3-one.
What is the SMILES notation for 5-fluoro-2-propylindol-3-one?
The canonical SMILES for 5-fluoro-2-propylindol-3-one is CCCC1=Nc2ccc(F)cc2C1=O.
What is the InChIKey of 5-fluoro-2-propylindol-3-one?
The InChIKey is PIJXEMKBKYNBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-2-3-10-11(14)8-6-7(12)4-5-9(8)13-10/h4-6H,2-3H2,1H3.
What are the key properties of 5-fluoro-2-propylindol-3-one?
5-fluoro-2-propylindol-3-one has a molecular weight of 191.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propylindol-3-one is sourced from PubChem (CID 163409590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).