1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid

C16H23FN2O2 — CID 116531279

IUPAC1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCc2cc(F)ccc21
InChIInChI=1S/C16H23FN2O2/c1-3-19(4-2)10-9-18-16(15(20)21)8-7-12-11-13(17)5-6-14(12)16/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyQUKMEQOOJSOMNG-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.98
Rot. Bonds7

About 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid

1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 116531279) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID116531279
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCc2cc(F)ccc21
InChIInChI=1S/C16H23FN2O2/c1-3-19(4-2)10-9-18-16(15(20)21)8-7-12-11-13(17)5-6-14(12)16/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyQUKMEQOOJSOMNG-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 116531279) is 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid is CCN(CC)CCNC1(C(=O)O)CCc2cc(F)ccc21.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is QUKMEQOOJSOMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-19(4-2)10-9-18-16(15(20)21)8-7-12-11-13(17)5-6-14(12)16/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 116531279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).