2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid

C10H8FNO3 — CID 86311434

IUPAC2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyGOJAJUSLXBXIJY-ZETCQYMHSA-N
MW209.18 g/mol
LogP1.34
Rot. Bonds2

About 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid

2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid (PubChem CID 86311434) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid
PubChem CID86311434
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyGOJAJUSLXBXIJY-ZETCQYMHSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid (CID 86311434) is 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid is O=C(O)C[C@@H]1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid?
The InChIKey is GOJAJUSLXBXIJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid?
2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid has a molecular weight of 209.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 86311434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).