2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid

C12H12FNO2 — CID 130052423

IUPAC2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid
SMILESCCc1c(F)ccc2cc(CC(=O)O)[nH]c12
InChIInChI=1S/C12H12FNO2/c1-2-9-10(13)4-3-7-5-8(6-11(15)16)14-12(7)9/h3-5,14H,2,6H2,1H3,(H,15,16)
InChIKeyNFRJZFSJUAQLFH-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.50
Rot. Bonds3

About 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid

2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid (PubChem CID 130052423) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid
PubChem CID130052423
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid
SMILESCCc1c(F)ccc2cc(CC(=O)O)[nH]c12
InChIInChI=1S/C12H12FNO2/c1-2-9-10(13)4-3-7-5-8(6-11(15)16)14-12(7)9/h3-5,14H,2,6H2,1H3,(H,15,16)
InChIKeyNFRJZFSJUAQLFH-UHFFFAOYSA-N
XLogP2.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid?
The IUPAC name of 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid (CID 130052423) is 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid.
What is the SMILES notation for 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid?
The canonical SMILES for 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid is CCc1c(F)ccc2cc(CC(=O)O)[nH]c12.
What is the InChIKey of 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid?
The InChIKey is NFRJZFSJUAQLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-2-9-10(13)4-3-7-5-8(6-11(15)16)14-12(7)9/h3-5,14H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid?
2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid has a molecular weight of 221.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-6-fluoro-1H-indol-2-yl)acetic acid is sourced from PubChem (CID 130052423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).