methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate

C14H15F2NO3 — CID 102365011

IUPACmethyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(CC(F)F)C(=O)N2C
InChIInChI=1S/C14H15F2NO3/c1-14(7-11(15)16)9-6-8(12(18)20-3)4-5-10(9)17(2)13(14)19/h4-6,11H,7H2,1-3H3
InChIKeyXHXLFJLKNBRBOM-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.36
Rot. Bonds3

About methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate

methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate (PubChem CID 102365011) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate
PubChem CID102365011
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Namemethyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(CC(F)F)C(=O)N2C
InChIInChI=1S/C14H15F2NO3/c1-14(7-11(15)16)9-6-8(12(18)20-3)4-5-10(9)17(2)13(14)19/h4-6,11H,7H2,1-3H3
InChIKeyXHXLFJLKNBRBOM-UHFFFAOYSA-N
XLogP2.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate?
The IUPAC name of methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate (CID 102365011) is methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate.
What is the SMILES notation for methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate?
The canonical SMILES for methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate is COC(=O)c1ccc2c(c1)C(C)(CC(F)F)C(=O)N2C.
What is the InChIKey of methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate?
The InChIKey is XHXLFJLKNBRBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-14(7-11(15)16)9-6-8(12(18)20-3)4-5-10(9)17(2)13(14)19/h4-6,11H,7H2,1-3H3.
What are the key properties of methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate?
methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate has a molecular weight of 283.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-difluoroethyl)-1,3-dimethyl-2-oxoindole-5-carboxylate is sourced from PubChem (CID 102365011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).