2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid

C11H9FO3 — CID 93492412

IUPAC2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H9FO3/c12-8-1-2-9-6(4-8)3-7(11(9)15)5-10(13)14/h1-2,4,7H,3,5H2,(H,13,14)/t7-/m0/s1
InChIKeyJOVRBBSJBWMYOL-ZETCQYMHSA-N
MW208.19 g/mol
LogP1.66
Rot. Bonds2

About 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid

2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid (PubChem CID 93492412) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
PubChem CID93492412
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H9FO3/c12-8-1-2-9-6(4-8)3-7(11(9)15)5-10(13)14/h1-2,4,7H,3,5H2,(H,13,14)/t7-/m0/s1
InChIKeyJOVRBBSJBWMYOL-ZETCQYMHSA-N
XLogP1.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid (CID 93492412) is 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid is O=C(O)C[C@@H]1Cc2cc(F)ccc2C1=O.
What is the InChIKey of 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
The InChIKey is JOVRBBSJBWMYOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H9FO3/c12-8-1-2-9-6(4-8)3-7(11(9)15)5-10(13)14/h1-2,4,7H,3,5H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid has a molecular weight of 208.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 93492412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).