2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid

C12H13FO3 — CID 54536735

IUPAC2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCC1CC(O)(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C12H13FO3/c1-7-5-12(16,6-11(14)15)10-4-8(13)2-3-9(7)10/h2-4,7,16H,5-6H2,1H3,(H,14,15)
InChIKeyZAHPENILKARUAJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.00
Rot. Bonds2

About 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid

2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 54536735) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid
PubChem CID54536735
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid
SMILESCC1CC(O)(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C12H13FO3/c1-7-5-12(16,6-11(14)15)10-4-8(13)2-3-9(7)10/h2-4,7,16H,5-6H2,1H3,(H,14,15)
InChIKeyZAHPENILKARUAJ-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid (CID 54536735) is 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid is CC1CC(O)(CC(=O)O)c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is ZAHPENILKARUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-7-5-12(16,6-11(14)15)10-4-8(13)2-3-9(7)10/h2-4,7,16H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid?
2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 224.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-hydroxy-3-methyl-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 54536735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).