ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate

C11H11F2NO3 — CID 70937781

IUPACethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)CCC(F)(F)C2=O
InChIInChI=1S/C11H11F2NO3/c1-2-17-10(16)8-5-6-7(14-8)3-4-11(12,13)9(6)15/h5,14H,2-4H2,1H3
InChIKeyLNJVZDUNIXEBQQ-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.96
Rot. Bonds2

About ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate

ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate (PubChem CID 70937781) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate
PubChem CID70937781
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Nameethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)CCC(F)(F)C2=O
InChIInChI=1S/C11H11F2NO3/c1-2-17-10(16)8-5-6-7(14-8)3-4-11(12,13)9(6)15/h5,14H,2-4H2,1H3
InChIKeyLNJVZDUNIXEBQQ-UHFFFAOYSA-N
XLogP1.96
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate 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 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate (CID 70937781) is ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate is CCOC(=O)c1cc2c([nH]1)CCC(F)(F)C2=O.
What is the InChIKey of ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate?
The InChIKey is LNJVZDUNIXEBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-2-17-10(16)8-5-6-7(14-8)3-4-11(12,13)9(6)15/h5,14H,2-4H2,1H3.
What are the key properties of ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate?
ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate has a molecular weight of 243.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-difluoro-4-oxo-6,7-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 70937781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).