3-acetyl-4-fluoro-1H-indole-7-carbaldehyde

C11H8FNO2 — CID 143126561

IUPAC3-acetyl-4-fluoro-1H-indole-7-carbaldehyde
SMILESCC(=O)c1c[nH]c2c(C=O)ccc(F)c12
InChIInChI=1S/C11H8FNO2/c1-6(15)8-4-13-11-7(5-14)2-3-9(12)10(8)11/h2-5,13H,1H3
InChIKeyMQKJPEROYJILNN-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.32
Rot. Bonds2

About 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde

3-acetyl-4-fluoro-1H-indole-7-carbaldehyde (PubChem CID 143126561) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name3-acetyl-4-fluoro-1H-indole-7-carbaldehyde
PubChem CID143126561
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name3-acetyl-4-fluoro-1H-indole-7-carbaldehyde
SMILESCC(=O)c1c[nH]c2c(C=O)ccc(F)c12
InChIInChI=1S/C11H8FNO2/c1-6(15)8-4-13-11-7(5-14)2-3-9(12)10(8)11/h2-5,13H,1H3
InChIKeyMQKJPEROYJILNN-UHFFFAOYSA-N
XLogP2.32
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4,7-difluoro-1H-indol-3-yl)ethanone;formyl chloride
CID 168946898
4-fluoro-N-methyl-3-oxaldehydoyl-1H-indole-7-carboxamide
CID 142845128
methyl 4-fluoro-3-oxaldehydoyl-1H-indole-7-carboxylate
CID 142845141
ethane;4,5,8-triacetylnaphthalene-1-carbaldehyde
CID 143543036
2-acetyl-4-fluoro-3-(trifluoromethyl)benzaldehyde
CID 171015255
1-(7-acetyl-4-fluoro-1H-indol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 59069109
2-acetyl-6-fluoro-3-formylbenzonitrile
CID 171017089
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
3-acetyl-2-fluoro-4-methylbenzaldehyde
CID 171010106
1-(4-fluoro-1H-indol-7-yl)ethanone
CID 18519733
5-acetyl-4-fluoro-2-methylbenzaldehyde
CID 171010251

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde?
The IUPAC name of 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde (CID 143126561) is 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde.
What is the SMILES notation for 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde?
The canonical SMILES for 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde is CC(=O)c1c[nH]c2c(C=O)ccc(F)c12.
What is the InChIKey of 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde?
The InChIKey is MQKJPEROYJILNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-6(15)8-4-13-11-7(5-14)2-3-9(12)10(8)11/h2-5,13H,1H3.
What are the key properties of 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde?
3-acetyl-4-fluoro-1H-indole-7-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-fluoro-1H-indole-7-carbaldehyde is sourced from PubChem (CID 143126561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).