2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid

C11H12FNO2 — CID 117193321

IUPAC2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid
SMILESCCC1(C(=O)O)Cc2cc(F)ccc2N1
InChIInChI=1S/C11H12FNO2/c1-2-11(10(14)15)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,2,6H2,1H3,(H,14,15)
InChIKeyNAIZCCGXBBVDBI-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.03
Rot. Bonds2

About 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid

2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid (PubChem CID 117193321) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid
PubChem CID117193321
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid
SMILESCCC1(C(=O)O)Cc2cc(F)ccc2N1
InChIInChI=1S/C11H12FNO2/c1-2-11(10(14)15)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,2,6H2,1H3,(H,14,15)
InChIKeyNAIZCCGXBBVDBI-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193423
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
CID 175545746
methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
CID 117193354
(2R,3S)-3-amino-2,3-diethyl-6-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylic acid
CID 150306735
(6-fluoro-2-methyl-1,3-dihydroindol-2-yl)methanol
CID 117193573
5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 10609540
3,3-diethyl-1-(4-fluorophenyl)sulfanylcyclobutane-1-carboxylic acid
CID 66070736
2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193393
2-(5-fluoro-2-sulfanyl-1,3-dihydrobenzimidazol-2-yl)acetic acid
CID 87846068
2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
CID 57324652
2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid
CID 66588752

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid (CID 117193321) is 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid is CCC1(C(=O)O)Cc2cc(F)ccc2N1.
What is the InChIKey of 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid?
The InChIKey is NAIZCCGXBBVDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-11(10(14)15)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid?
2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-1,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 117193321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).