2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid

C12H14FNO2 — CID 117198847

IUPAC2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2cccc(F)c2CC1CC(=O)O
InChIInChI=1S/C12H14FNO2/c1-2-14-8(7-12(15)16)6-9-10(13)4-3-5-11(9)14/h3-5,8H,2,6-7H2,1H3,(H,15,16)
InChIKeyGAUXZKCABBDLJW-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.05
Rot. Bonds3

About 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid

2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid (PubChem CID 117198847) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
PubChem CID117198847
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2cccc(F)c2CC1CC(=O)O
InChIInChI=1S/C12H14FNO2/c1-2-14-8(7-12(15)16)6-9-10(13)4-3-5-11(9)14/h3-5,8H,2,6-7H2,1H3,(H,15,16)
InChIKeyGAUXZKCABBDLJW-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198605
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid (CID 117198847) is 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid is CCN1c2cccc(F)c2CC1CC(=O)O.
What is the InChIKey of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid?
The InChIKey is GAUXZKCABBDLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-14-8(7-12(15)16)6-9-10(13)4-3-5-11(9)14/h3-5,8H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid?
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid has a molecular weight of 223.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid is sourced from PubChem (CID 117198847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).