2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid

C14H16FNO2 — CID 117197726

IUPAC2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid
SMILESCCn1cc(C(C)(C)C(=O)O)c2cccc(F)c21
InChIInChI=1S/C14H16FNO2/c1-4-16-8-10(14(2,3)13(17)18)9-6-5-7-11(15)12(9)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyKLOSDQSPGXGNMX-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.16
Rot. Bonds3

About 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid

2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid (PubChem CID 117197726) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid
PubChem CID117197726
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid
SMILESCCn1cc(C(C)(C)C(=O)O)c2cccc(F)c21
InChIInChI=1S/C14H16FNO2/c1-4-16-8-10(14(2,3)13(17)18)9-6-5-7-11(15)12(9)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyKLOSDQSPGXGNMX-UHFFFAOYSA-N
XLogP3.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-7-hydroxyindol-3-yl)-2-methylpropanoic acid
CID 117197967
2-[1-ethyl-7-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117197367
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
2-(5-bromo-1-ethylindol-3-yl)-2-methylpropanoic acid
CID 117121080
3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
CID 83967143
2-(7-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117123001
2-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropanoic acid
CID 117122340
2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84639153
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
8-fluoro-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
CID 82250393
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210
2-(1-ethyl-7-methoxyindol-3-yl)propan-2-ol
CID 117197919

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid (CID 117197726) is 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid is CCn1cc(C(C)(C)C(=O)O)c2cccc(F)c21.
What is the InChIKey of 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid?
The InChIKey is KLOSDQSPGXGNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-4-16-8-10(14(2,3)13(17)18)9-6-5-7-11(15)12(9)16/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid?
2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid has a molecular weight of 249.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117197726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).