2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid

C11H10F2O2 — CID 103512867

IUPAC2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(C(F)F)Cc2ccccc2C1
InChIInChI=1S/C11H10F2O2/c12-9(13)11(10(14)15)5-7-3-1-2-4-8(7)6-11/h1-4,9H,5-6H2,(H,14,15)
InChIKeyHVQXLEJOYAGXMV-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.12
Rot. Bonds2

About 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid

2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 103512867) has the molecular formula C11H10F2O2 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID103512867
Molecular FormulaC11H10F2O2
Molecular Weight212.20 g/mol
Exact Mass212.06
IUPAC Name2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(C(F)F)Cc2ccccc2C1
InChIInChI=1S/C11H10F2O2/c12-9(13)11(10(14)15)5-7-3-1-2-4-8(7)6-11/h1-4,9H,5-6H2,(H,14,15)
InChIKeyHVQXLEJOYAGXMV-UHFFFAOYSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid (CID 103512867) is 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(C(F)F)Cc2ccccc2C1.
What is the InChIKey of 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is HVQXLEJOYAGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-9(13)11(10(14)15)5-7-3-1-2-4-8(7)6-11/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid?
2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 103512867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).