2-(7-fluoro-1H-indol-3-yl)acetic acid

C10H8FNO2 — CID 22485714

IUPAC2-(7-fluoro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2c(F)cccc12
InChIInChI=1S/C10H8FNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)
InChIKeyMXEHCUNCVQVBQL-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.93
Rot. Bonds2

About 2-(7-fluoro-1H-indol-3-yl)acetic acid

2-(7-fluoro-1H-indol-3-yl)acetic acid (PubChem CID 22485714) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(7-fluoro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-1H-indol-3-yl)acetic acid
PubChem CID22485714
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-(7-fluoro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2c(F)cccc12
InChIInChI=1S/C10H8FNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)
InChIKeyMXEHCUNCVQVBQL-UHFFFAOYSA-N
XLogP1.93
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-1H-indol-3-yl)acetic acid (CID 22485714) is 2-(7-fluoro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-1H-indol-3-yl)acetic acid is O=C(O)Cc1c[nH]c2c(F)cccc12.
What is the InChIKey of 2-(7-fluoro-1H-indol-3-yl)acetic acid?
The InChIKey is MXEHCUNCVQVBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of 2-(7-fluoro-1H-indol-3-yl)acetic acid?
2-(7-fluoro-1H-indol-3-yl)acetic acid has a molecular weight of 193.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 22485714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).