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

C12H13FO — CID 105446067

IUPAC2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal
SMILESCC(C=O)C1CCc2ccc(F)cc21
InChIInChI=1S/C12H13FO/c1-8(7-14)11-5-3-9-2-4-10(13)6-12(9)11/h2,4,6-8,11H,3,5H2,1H3
InChIKeyHSCAPGTUIPTYFH-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.69
Rot. Bonds2

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

2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal (PubChem CID 105446067) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal
PubChem CID105446067
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal
SMILESCC(C=O)C1CCc2ccc(F)cc21
InChIInChI=1S/C12H13FO/c1-8(7-14)11-5-3-9-2-4-10(13)6-12(9)11/h2,4,6-8,11H,3,5H2,1H3
InChIKeyHSCAPGTUIPTYFH-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.69
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
3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
CID 167441479
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 86959190
1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene
CID 116532446
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62375099
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
CID 98080512
(7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 83907571
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde
CID 112546958
5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
CID 22975342

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal?
The IUPAC name of 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal (CID 105446067) is 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal?
The canonical SMILES for 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal is CC(C=O)C1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal?
The InChIKey is HSCAPGTUIPTYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8(7-14)11-5-3-9-2-4-10(13)6-12(9)11/h2,4,6-8,11H,3,5H2,1H3.
What are the key properties of 2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal?
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal has a molecular weight of 192.23 g/mol, XLogP of 2.69, 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)propanal is sourced from PubChem (CID 105446067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).