2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid

C12H12FNO3 — CID 81358824

IUPAC2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid
SMILESCCc1ccc2c(c1)C(C(F)C(=O)O)C(=O)N2
InChIInChI=1S/C12H12FNO3/c1-2-6-3-4-8-7(5-6)9(11(15)14-8)10(13)12(16)17/h3-5,9-10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyDFVXSNXDJZRFRF-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.71
Rot. Bonds3

About 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid

2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid (PubChem CID 81358824) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid
PubChem CID81358824
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid
SMILESCCc1ccc2c(c1)C(C(F)C(=O)O)C(=O)N2
InChIInChI=1S/C12H12FNO3/c1-2-6-3-4-8-7(5-6)9(11(15)14-8)10(13)12(16)17/h3-5,9-10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyDFVXSNXDJZRFRF-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid (CID 81358824) is 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid is CCc1ccc2c(c1)C(C(F)C(=O)O)C(=O)N2.
What is the InChIKey of 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid?
The InChIKey is DFVXSNXDJZRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-2-6-3-4-8-7(5-6)9(11(15)14-8)10(13)12(16)17/h3-5,9-10H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid?
2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid has a molecular weight of 237.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81358824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).