2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde

C11H11FO2 — CID 114795365

IUPAC2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde
SMILESO=CCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C11H11FO2/c12-10-3-1-2-9-8(10)4-5-11(9,14)6-7-13/h1-3,7,14H,4-6H2
InChIKeyXBCGQALLSTWYTR-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.55
Rot. Bonds2

About 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde

2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde (PubChem CID 114795365) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde
PubChem CID114795365
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde
SMILESO=CCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C11H11FO2/c12-10-3-1-2-9-8(10)4-5-11(9,14)6-7-13/h1-3,7,14H,4-6H2
InChIKeyXBCGQALLSTWYTR-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde?
The IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde (CID 114795365) is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde is O=CCC1(O)CCc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde?
The InChIKey is XBCGQALLSTWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-3-1-2-9-8(10)4-5-11(9,14)6-7-13/h1-3,7,14H,4-6H2.
What are the key properties of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde?
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde has a molecular weight of 194.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde is sourced from PubChem (CID 114795365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).