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

C15H17F2NO3 — CID 132820566

IUPACethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H17F2NO3/c1-4-21-13(20)15(16,17)9-14(2)10-7-5-6-8-11(10)18(3)12(14)19/h5-8H,4,9H2,1-3H3
InChIKeySONCZWBTLILTFH-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.51
Rot. Bonds4

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

ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate (PubChem CID 132820566) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate
PubChem CID132820566
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Nameethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H17F2NO3/c1-4-21-13(20)15(16,17)9-14(2)10-7-5-6-8-11(10)18(3)12(14)19/h5-8H,4,9H2,1-3H3
InChIKeySONCZWBTLILTFH-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1S,2S)-2'-oxospiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956407
ethyl (1S,2S)-5'-fluoro-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956408
2-[1-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 2348075
diethyl (1S,2S)-1'-methyl-2'-oxospiro[cyclopropane-3,3'-indole]-1,2-dicarboxylate
CID 122193086
ethyl (1S,2S,3S,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127048745
ethyl (1S,2R,3R,4R)-1'-methyl-2'-oxospiro[bicyclo[2.2.1]hept-5-ene-3,3'-indole]-2-carboxylate
CID 127050948
tert-butyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
CID 134153485
[1-Methyl-2-oxo-3-(2,2,2-trifluoroethyl)indol-3-yl]methyl acetate
CID 102499449
3-(2,2-Difluoroethyl)-1,3-dimethylindolin-2-one
CID 101891094
1,3-Dimethyl-3-(3,3,3-trifluoropropyl)indol-2-one
CID 101910368
3-[3-(2-Carboxyethyl)-1-methyl-2-oxo-indolin-3-yl]propanoic acid
CID 11507570
3-[3-(2-Carboxyethyl)-1-ethyl-2-oxo-indolin-3-yl]propanoic acid
CID 11630877

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate (CID 132820566) is ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CC1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate?
The InChIKey is SONCZWBTLILTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-4-21-13(20)15(16,17)9-14(2)10-7-5-6-8-11(10)18(3)12(14)19/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate?
ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate has a molecular weight of 297.30 g/mol, XLogP of 2.51, 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)-2,2-difluoropropanoate is sourced from PubChem (CID 132820566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).