1-benzoyl-5-fluoroindole-3-carbaldehyde

C16H10FNO2 — CID 155678237

IUPAC1-benzoyl-5-fluoroindole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C16H10FNO2/c17-13-6-7-15-14(8-13)12(10-19)9-18(15)16(20)11-4-2-1-3-5-11/h1-10H
InChIKeyZGTNWKSPFLCWEG-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.28
Rot. Bonds2

About 1-benzoyl-5-fluoroindole-3-carbaldehyde

1-benzoyl-5-fluoroindole-3-carbaldehyde (PubChem CID 155678237) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-benzoyl-5-fluoroindole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzoyl-5-fluoroindole-3-carbaldehyde
PubChem CID155678237
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name1-benzoyl-5-fluoroindole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C16H10FNO2/c17-13-6-7-15-14(8-13)12(10-19)9-18(15)16(20)11-4-2-1-3-5-11/h1-10H
InChIKeyZGTNWKSPFLCWEG-UHFFFAOYSA-N
XLogP3.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-fluoroindole-3-carbaldehyde?
The IUPAC name of 1-benzoyl-5-fluoroindole-3-carbaldehyde (CID 155678237) is 1-benzoyl-5-fluoroindole-3-carbaldehyde.
What is the SMILES notation for 1-benzoyl-5-fluoroindole-3-carbaldehyde?
The canonical SMILES for 1-benzoyl-5-fluoroindole-3-carbaldehyde is O=Cc1cn(C(=O)c2ccccc2)c2ccc(F)cc12.
What is the InChIKey of 1-benzoyl-5-fluoroindole-3-carbaldehyde?
The InChIKey is ZGTNWKSPFLCWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-13-6-7-15-14(8-13)12(10-19)9-18(15)16(20)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-benzoyl-5-fluoroindole-3-carbaldehyde?
1-benzoyl-5-fluoroindole-3-carbaldehyde has a molecular weight of 267.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-fluoroindole-3-carbaldehyde is sourced from PubChem (CID 155678237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).