2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal

C13H15FO — CID 105458982

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1Cc2ccc(F)cc2C1
InChIInChI=1S/C13H15FO/c1-13(2,8-15)11-5-9-3-4-12(14)7-10(9)6-11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeySVLAXTDOUYKTGJ-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.77
Rot. Bonds2

About 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal

2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal (PubChem CID 105458982) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal
PubChem CID105458982
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1Cc2ccc(F)cc2C1
InChIInChI=1S/C13H15FO/c1-13(2,8-15)11-5-9-3-4-12(14)7-10(9)6-11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeySVLAXTDOUYKTGJ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
CID 105458981
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
2-bromo-5-fluoro-2,3-dihydro-1H-indene
CID 130115402
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 82401388
1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105438205
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde
CID 112546958
[(3S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl] formate;hydrochloride
CID 175250300
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
2-(4-tert-butylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 61433274
2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
CID 105480105
3-(2-bromo-5-fluorophenoxy)-2,2-dimethylpropanal
CID 165409834

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal (CID 105458982) is 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal is CC(C)(C=O)C1Cc2ccc(F)cc2C1.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal?
The InChIKey is SVLAXTDOUYKTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-13(2,8-15)11-5-9-3-4-12(14)7-10(9)6-11/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal?
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal has a molecular weight of 206.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal is sourced from PubChem (CID 105458982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).