2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal

C13H15FO — CID 105458981

IUPAC2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1CCc2ccc(F)cc21
InChIInChI=1S/C13H15FO/c1-13(2,8-15)12-6-4-9-3-5-10(14)7-11(9)12/h3,5,7-8,12H,4,6H2,1-2H3
InChIKeyBNUTZEFRSSXXIH-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.08
Rot. Bonds2

About 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal

2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal (PubChem CID 105458981) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
PubChem CID105458981
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1CCc2ccc(F)cc21
InChIInChI=1S/C13H15FO/c1-13(2,8-15)12-6-4-9-3-5-10(14)7-11(9)12/h3,5,7-8,12H,4,6H2,1-2H3
InChIKeyBNUTZEFRSSXXIH-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal?
The IUPAC name of 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal (CID 105458981) is 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal is CC(C)(C=O)C1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal?
The InChIKey is BNUTZEFRSSXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-13(2,8-15)12-6-4-9-3-5-10(14)7-11(9)12/h3,5,7-8,12H,4,6H2,1-2H3.
What are the key properties of 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal?
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal has a molecular weight of 206.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal is sourced from PubChem (CID 105458981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).