5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one

C12H14FNO2 — CID 58386493

IUPAC5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one
SMILESCOCCC1(C)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-12(5-6-16-2)9-7-8(13)3-4-10(9)14-11(12)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyANFAGIIKVLTJDY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.07
Rot. Bonds3

About 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one

5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one (PubChem CID 58386493) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one
PubChem CID58386493
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one
SMILESCOCCC1(C)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-12(5-6-16-2)9-7-8(13)3-4-10(9)14-11(12)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyANFAGIIKVLTJDY-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one (CID 58386493) is 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one is COCCC1(C)C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one?
The InChIKey is ANFAGIIKVLTJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(5-6-16-2)9-7-8(13)3-4-10(9)14-11(12)15/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one?
5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one is sourced from PubChem (CID 58386493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).