5-fluoro-1,2,3-trimethylindole-6-carbaldehyde

C12H12FNO — CID 82396326

IUPAC5-fluoro-1,2,3-trimethylindole-6-carbaldehyde
SMILESCc1c(C)n(C)c2cc(C=O)c(F)cc12
InChIInChI=1S/C12H12FNO/c1-7-8(2)14(3)12-4-9(6-15)11(13)5-10(7)12/h4-6H,1-3H3
InChIKeyWXBIWOQCQCUJGH-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.75
Rot. Bonds1

About 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde

5-fluoro-1,2,3-trimethylindole-6-carbaldehyde (PubChem CID 82396326) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1,2,3-trimethylindole-6-carbaldehyde
PubChem CID82396326
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name5-fluoro-1,2,3-trimethylindole-6-carbaldehyde
SMILESCc1c(C)n(C)c2cc(C=O)c(F)cc12
InChIInChI=1S/C12H12FNO/c1-7-8(2)14(3)12-4-9(6-15)11(13)5-10(7)12/h4-6H,1-3H3
InChIKeyWXBIWOQCQCUJGH-UHFFFAOYSA-N
XLogP2.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde?
The IUPAC name of 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde (CID 82396326) is 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde.
What is the SMILES notation for 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde?
The canonical SMILES for 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde is Cc1c(C)n(C)c2cc(C=O)c(F)cc12.
What is the InChIKey of 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde?
The InChIKey is WXBIWOQCQCUJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-7-8(2)14(3)12-4-9(6-15)11(13)5-10(7)12/h4-6H,1-3H3.
What are the key properties of 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde?
5-fluoro-1,2,3-trimethylindole-6-carbaldehyde has a molecular weight of 205.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2,3-trimethylindole-6-carbaldehyde is sourced from PubChem (CID 82396326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).