2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid

C14H18FNO3 — CID 103503737

IUPAC2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
SMILESCCOC(CCN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-19-13(14(17)18)6-8-16-7-5-10-3-4-11(15)9-12(10)16/h3-4,9,13H,2,5-8H2,1H3,(H,17,18)
InChIKeyLTEFQTHDHKHRIG-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.07
Rot. Bonds6

About 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid

2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid (PubChem CID 103503737) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
PubChem CID103503737
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
SMILESCCOC(CCN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-19-13(14(17)18)6-8-16-7-5-10-3-4-11(15)9-12(10)16/h3-4,9,13H,2,5-8H2,1H3,(H,17,18)
InChIKeyLTEFQTHDHKHRIG-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
CID 103501858
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid?
The IUPAC name of 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid (CID 103503737) is 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid is CCOC(CCN1CCc2ccc(F)cc21)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid?
The InChIKey is LTEFQTHDHKHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-13(14(17)18)6-8-16-7-5-10-3-4-11(15)9-12(10)16/h3-4,9,13H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid?
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid is sourced from PubChem (CID 103503737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).