2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid

C13H15FO3 — CID 140969405

IUPAC2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid
SMILESCC1(C)CC(O)(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c1-12(2)7-13(17,6-11(15)16)10-5-8(14)3-4-9(10)12/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyNVPOJPHIXWIUPE-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.17
Rot. Bonds2

About 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid

2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid (PubChem CID 140969405) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid
PubChem CID140969405
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid
SMILESCC1(C)CC(O)(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c1-12(2)7-13(17,6-11(15)16)10-5-8(14)3-4-9(10)12/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyNVPOJPHIXWIUPE-UHFFFAOYSA-N
XLogP2.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.17
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-3,3-dimethyl-2H-inden-1-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid (CID 140969405) is 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid is CC1(C)CC(O)(CC(=O)O)c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid?
The InChIKey is NVPOJPHIXWIUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-12(2)7-13(17,6-11(15)16)10-5-8(14)3-4-9(10)12/h3-5,17H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid?
2-(6-fluoro-1-hydroxy-3,3-dimethyl-2H-inden-1-yl)acetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.17, 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-3,3-dimethyl-2H-inden-1-yl)acetic acid is sourced from PubChem (CID 140969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).