ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate

C15H18FNO3 — CID 134817691

IUPACethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate
SMILESCCOC(=O)C(F)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H18FNO3/c1-4-20-13(18)11(16)9-15(2)10-7-5-6-8-12(10)17(3)14(15)19/h5-8,11H,4,9H2,1-3H3
InChIKeyJOBAFPOZNCRBCF-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.21
Rot. Bonds4

About ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate

ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate (PubChem CID 134817691) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate
PubChem CID134817691
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Nameethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate
SMILESCCOC(=O)C(F)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H18FNO3/c1-4-20-13(18)11(16)9-15(2)10-7-5-6-8-12(10)17(3)14(15)19/h5-8,11H,4,9H2,1-3H3
InChIKeyJOBAFPOZNCRBCF-UHFFFAOYSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate?
The IUPAC name of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate (CID 134817691) is ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate.
What is the SMILES notation for ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate?
The canonical SMILES for ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate is CCOC(=O)C(F)CC1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate?
The InChIKey is JOBAFPOZNCRBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-4-20-13(18)11(16)9-15(2)10-7-5-6-8-12(10)17(3)14(15)19/h5-8,11H,4,9H2,1-3H3.
What are the key properties of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate?
ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate has a molecular weight of 279.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2-fluoropropanoate is sourced from PubChem (CID 134817691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).