5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid

C10H8F2O3 — CID 122552769

IUPAC5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(O)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C10H8F2O3/c11-7-1-5-3-10(15,9(13)14)4-6(5)2-8(7)12/h1-2,15H,3-4H2,(H,13,14)
InChIKeyWXTFJCOQFJEXKC-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.88
Rot. Bonds1

About 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid

5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid (PubChem CID 122552769) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid
PubChem CID122552769
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(O)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C10H8F2O3/c11-7-1-5-3-10(15,9(13)14)4-6(5)2-8(7)12/h1-2,15H,3-4H2,(H,13,14)
InChIKeyWXTFJCOQFJEXKC-UHFFFAOYSA-N
XLogP0.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Flurenol
CID 10087
1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
(2,7-Difluoro-9H-fluoren-9-yl)-acetic acid
CID 44378591
(2-Fluoro-9H-fluoren-9-yl)-acetic acid
CID 44378917
6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 25023574
(1S)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 11275176
2-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 14913071
5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 21986118
4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 55264514
5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid
CID 59207552
2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
CID 66288188

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid (CID 122552769) is 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(O)Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WXTFJCOQFJEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c11-7-1-5-3-10(15,9(13)14)4-6(5)2-8(7)12/h1-2,15H,3-4H2,(H,13,14).
What are the key properties of 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid?
5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 214.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-hydroxy-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 122552769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).