3-(5-fluoro-1H-inden-1-yl)propanoic acid

C12H11FO2 — CID 139628496

IUPAC3-(5-fluoro-1H-inden-1-yl)propanoic acid
SMILESO=C(O)CCC1C=Cc2cc(F)ccc21
InChIInChI=1S/C12H11FO2/c13-10-4-5-11-8(3-6-12(14)15)1-2-9(11)7-10/h1-2,4-5,7-8H,3,6H2,(H,14,15)
InChIKeyAXTQJIQPOJSMRQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.80
Rot. Bonds3

About 3-(5-fluoro-1H-inden-1-yl)propanoic acid

3-(5-fluoro-1H-inden-1-yl)propanoic acid (PubChem CID 139628496) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(5-fluoro-1H-inden-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1H-inden-1-yl)propanoic acid
PubChem CID139628496
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name3-(5-fluoro-1H-inden-1-yl)propanoic acid
SMILESO=C(O)CCC1C=Cc2cc(F)ccc21
InChIInChI=1S/C12H11FO2/c13-10-4-5-11-8(3-6-12(14)15)1-2-9(11)7-10/h1-2,4-5,7-8H,3,6H2,(H,14,15)
InChIKeyAXTQJIQPOJSMRQ-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-inden-1-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-1H-inden-1-yl)propanoic acid (CID 139628496) is 3-(5-fluoro-1H-inden-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-1H-inden-1-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-1H-inden-1-yl)propanoic acid is O=C(O)CCC1C=Cc2cc(F)ccc21.
What is the InChIKey of 3-(5-fluoro-1H-inden-1-yl)propanoic acid?
The InChIKey is AXTQJIQPOJSMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c13-10-4-5-11-8(3-6-12(14)15)1-2-9(11)7-10/h1-2,4-5,7-8H,3,6H2,(H,14,15).
What are the key properties of 3-(5-fluoro-1H-inden-1-yl)propanoic acid?
3-(5-fluoro-1H-inden-1-yl)propanoic acid has a molecular weight of 206.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-inden-1-yl)propanoic acid is sourced from PubChem (CID 139628496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).