3,3-difluoro-1,2-dihydroindene-1-carboxylic acid

C10H8F2O2 — CID 83853596

IUPAC3,3-difluoro-1,2-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1CC(F)(F)c2ccccc21
InChIInChI=1S/C10H8F2O2/c11-10(12)5-7(9(13)14)6-3-1-2-4-8(6)10/h1-4,7H,5H2,(H,13,14)
InChIKeyFDFGUKGXMNVPRX-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.35
Rot. Bonds1

About 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid

3,3-difluoro-1,2-dihydroindene-1-carboxylic acid (PubChem CID 83853596) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1,2-dihydroindene-1-carboxylic acid
PubChem CID83853596
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name3,3-difluoro-1,2-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1CC(F)(F)c2ccccc21
InChIInChI=1S/C10H8F2O2/c11-10(12)5-7(9(13)14)6-3-1-2-4-8(6)10/h1-4,7H,5H2,(H,13,14)
InChIKeyFDFGUKGXMNVPRX-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid (CID 83853596) is 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid is O=C(O)C1CC(F)(F)c2ccccc21.
What is the InChIKey of 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid?
The InChIKey is FDFGUKGXMNVPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-10(12)5-7(9(13)14)6-3-1-2-4-8(6)10/h1-4,7H,5H2,(H,13,14).
What are the key properties of 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid?
3,3-difluoro-1,2-dihydroindene-1-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 83853596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).