2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde

C11H9FO2 — CID 174848722

IUPAC2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)C1(F)CCc2ccccc21
InChIInChI=1S/C11H9FO2/c12-11(10(14)7-13)6-5-8-3-1-2-4-9(8)11/h1-4,7H,5-6H2
InChIKeyQGYYIWYVHWZDEH-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.57
Rot. Bonds2

About 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde

2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde (PubChem CID 174848722) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde
PubChem CID174848722
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)C1(F)CCc2ccccc21
InChIInChI=1S/C11H9FO2/c12-11(10(14)7-13)6-5-8-3-1-2-4-9(8)11/h1-4,7H,5-6H2
InChIKeyQGYYIWYVHWZDEH-UHFFFAOYSA-N
XLogP1.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
3-chloro-3-fluoro-1,2-dihydroindene
CID 13405902
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 1-fluoro-2,3-dihydroindene-1-carboxylate
CID 101266387
2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde
CID 174615814
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrate
CID 91886239
(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde
CID 102391535
1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde
CID 130640609
1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63688156
spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
CID 67860142
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde (CID 174848722) is 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde is O=CC(=O)C1(F)CCc2ccccc21.
What is the InChIKey of 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde?
The InChIKey is QGYYIWYVHWZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c12-11(10(14)7-13)6-5-8-3-1-2-4-9(8)11/h1-4,7H,5-6H2.
What are the key properties of 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde?
2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde has a molecular weight of 192.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174848722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).