5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid

C10H8F2O2 — CID 59207552

IUPAC5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C10H8F2O2/c11-8-3-5-1-7(10(13)14)2-6(5)4-9(8)12/h3-4,7H,1-2H2,(H,13,14)
InChIKeyRMTMLFPARWFPQS-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.76
Rot. Bonds1

About 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid

5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 59207552) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID59207552
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C10H8F2O2/c11-8-3-5-1-7(10(13)14)2-6(5)4-9(8)12/h3-4,7H,1-2H2,(H,13,14)
InChIKeyRMTMLFPARWFPQS-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid (CID 59207552) is 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid is O=C(O)C1Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is RMTMLFPARWFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-8-3-5-1-7(10(13)14)2-6(5)4-9(8)12/h3-4,7H,1-2H2,(H,13,14).
What are the key properties of 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 59207552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).