5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid

C11H12FNO2 — CID 116531255

IUPAC5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
SMILESCNC1(C(=O)O)CCc2cc(F)ccc21
InChIInChI=1S/C11H12FNO2/c1-13-11(10(14)15)5-4-7-6-8(12)2-3-9(7)11/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyQACQPTZILQSLBX-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.27
Rot. Bonds2

About 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid

5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid (PubChem CID 116531255) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
PubChem CID116531255
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
SMILESCNC1(C(=O)O)CCc2cc(F)ccc21
InChIInChI=1S/C11H12FNO2/c1-13-11(10(14)15)5-4-7-6-8(12)2-3-9(7)11/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyQACQPTZILQSLBX-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid (CID 116531255) is 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid is CNC1(C(=O)O)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is QACQPTZILQSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13-11(10(14)15)5-4-7-6-8(12)2-3-9(7)11/h2-3,6,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid?
5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 116531255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).