methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate

C15H15F2NO4 — CID 167311040

IUPACmethyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate
SMILESC=C(OCC)c1cc2c(cc1C(=O)OC)N(C)C(=O)C2(F)F
InChIInChI=1S/C15H15F2NO4/c1-5-22-8(2)9-6-11-12(7-10(9)13(19)21-4)18(3)14(20)15(11,16)17/h6-7H,2,5H2,1,3-4H3
InChIKeyRSLNZNWWDOLRNI-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.55
Rot. Bonds4

About methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate

methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate (PubChem CID 167311040) has the molecular formula C15H15F2NO4 and a molecular weight of 311.28 g/mol. Its IUPAC name is methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate
PubChem CID167311040
Molecular FormulaC15H15F2NO4
Molecular Weight311.28 g/mol
Exact Mass311.10
IUPAC Namemethyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate
SMILESC=C(OCC)c1cc2c(cc1C(=O)OC)N(C)C(=O)C2(F)F
InChIInChI=1S/C15H15F2NO4/c1-5-22-8(2)9-6-11-12(7-10(9)13(19)21-4)18(3)14(20)15(11,16)17/h6-7H,2,5H2,1,3-4H3
InChIKeyRSLNZNWWDOLRNI-UHFFFAOYSA-N
XLogP2.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate?
The IUPAC name of methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate (CID 167311040) is methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate.
What is the SMILES notation for methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate?
The canonical SMILES for methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate is C=C(OCC)c1cc2c(cc1C(=O)OC)N(C)C(=O)C2(F)F.
What is the InChIKey of methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate?
The InChIKey is RSLNZNWWDOLRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4/c1-5-22-8(2)9-6-11-12(7-10(9)13(19)21-4)18(3)14(20)15(11,16)17/h6-7H,2,5H2,1,3-4H3.
What are the key properties of methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate?
methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate has a molecular weight of 311.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-ethoxyethenyl)-3,3-difluoro-1-methyl-2-oxoindole-6-carboxylate is sourced from PubChem (CID 167311040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).