6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid

C10H9FO2 — CID 25023574

IUPAC6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChIKeyVZDRQAOWBACVNX-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.94
Rot. Bonds1

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

6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 25023574) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID25023574
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChIKeyVZDRQAOWBACVNX-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid (CID 25023574) is 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)C1CCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is VZDRQAOWBACVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13).
What are the key properties of 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 180.18 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 25023574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).