6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde

C10H9FO2 — CID 105438538

IUPAC6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(O)CCc2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-8-2-1-7-3-4-10(13,6-12)9(7)5-8/h1-2,5-6,13H,3-4H2
InChIKeyZKJYEJFIUSCJGO-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.16
Rot. Bonds1

About 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde

6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde (PubChem CID 105438538) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
PubChem CID105438538
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(O)CCc2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-8-2-1-7-3-4-10(13,6-12)9(7)5-8/h1-2,5-6,13H,3-4H2
InChIKeyZKJYEJFIUSCJGO-UHFFFAOYSA-N
XLogP1.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde (CID 105438538) is 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde is O=CC1(O)CCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is ZKJYEJFIUSCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-8-2-1-7-3-4-10(13,6-12)9(7)5-8/h1-2,5-6,13H,3-4H2.
What are the key properties of 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde?
6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 180.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 105438538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).