5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde

C10H10FNO — CID 88564101

IUPAC5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESCC1Nc2ccc(F)cc2C1C=O
InChIInChI=1S/C10H10FNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-6,9,12H,1H3
InChIKeyQAGWJGVCNYPFLD-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.92
Rot. Bonds1

About 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde

5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde (PubChem CID 88564101) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
PubChem CID88564101
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESCC1Nc2ccc(F)cc2C1C=O
InChIInChI=1S/C10H10FNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-6,9,12H,1H3
InChIKeyQAGWJGVCNYPFLD-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.92
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 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
The IUPAC name of 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde (CID 88564101) is 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde is CC1Nc2ccc(F)cc2C1C=O.
What is the InChIKey of 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
The InChIKey is QAGWJGVCNYPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-6,9,12H,1H3.
What are the key properties of 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde?
5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 88564101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).