4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde

C15H7Cl3FNO — CID 118833060

IUPAC4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c(-c3ccc(Cl)c(Cl)c3Cl)ccc(F)c12
InChIInChI=1S/C15H7Cl3FNO/c16-10-3-1-8(13(17)14(10)18)9-2-4-11(19)12-7(6-21)5-20-15(9)12/h1-6,20H
InChIKeyTXGJJBUHFCGKDY-UHFFFAOYSA-N
MW342.58 g/mol
LogP5.75
Rot. Bonds2

About 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde

4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde (PubChem CID 118833060) has the molecular formula C15H7Cl3FNO and a molecular weight of 342.58 g/mol. Its IUPAC name is 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
PubChem CID118833060
Molecular FormulaC15H7Cl3FNO
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC Name4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c(-c3ccc(Cl)c(Cl)c3Cl)ccc(F)c12
InChIInChI=1S/C15H7Cl3FNO/c16-10-3-1-8(13(17)14(10)18)9-2-4-11(19)12-7(6-21)5-20-15(9)12/h1-6,20H
InChIKeyTXGJJBUHFCGKDY-UHFFFAOYSA-N
XLogP5.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-5-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde
CID 118804955
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
4-hydroxy-6-(2,3,6-trichlorophenyl)-1H-indole-3-carbaldehyde
CID 118810434
3-bromo-7-chloro-4-fluoro-1H-indole
CID 130052193
3-acetyl-4-fluoro-1H-indole-7-carbaldehyde
CID 143126561
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 133090311
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047
4,7-difluoro-3-[(E)-2-nitroethenyl]-1H-indole
CID 21071471
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
CID 134635841
6-chloro-1H-indole-3-carbaldehyde
CID 12614669
4-chloro-5-fluoroquinoline-3-carbaldehyde
CID 131448573
5-chloro-2-(2,4-difluorophenyl)benzaldehyde
CID 66158909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde (CID 118833060) is 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2c(-c3ccc(Cl)c(Cl)c3Cl)ccc(F)c12.
What is the InChIKey of 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
The InChIKey is TXGJJBUHFCGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3FNO/c16-10-3-1-8(13(17)14(10)18)9-2-4-11(19)12-7(6-21)5-20-15(9)12/h1-6,20H.
What are the key properties of 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde?
4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde has a molecular weight of 342.58 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-(2,3,4-trichlorophenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 118833060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).