5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde

C15H9F2NO — CID 3764399

IUPAC5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C15H9F2NO/c16-10-6-11-12(8-19)14(9-4-2-1-3-5-9)18-15(11)13(17)7-10/h1-8,18H
InChIKeyWUCLWQDCYJUPQZ-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.93
Rot. Bonds2

About 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde

5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde (PubChem CID 3764399) has the molecular formula C15H9F2NO and a molecular weight of 257.24 g/mol. Its IUPAC name is 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
PubChem CID3764399
Molecular FormulaC15H9F2NO
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C15H9F2NO/c16-10-6-11-12(8-19)14(9-4-2-1-3-5-9)18-15(11)13(17)7-10/h1-8,18H
InChIKeyWUCLWQDCYJUPQZ-UHFFFAOYSA-N
XLogP3.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,7-difluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3789145
5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3730627
5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane
CID 172606579
2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde
CID 4519698
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
6,8-difluoro-2-phenyl-1H-quinolin-4-one
CID 43668321
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450
5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane
CID 172606670
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3753666
3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815770

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde (CID 3764399) is 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde?
The InChIKey is WUCLWQDCYJUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO/c16-10-6-11-12(8-19)14(9-4-2-1-3-5-9)18-15(11)13(17)7-10/h1-8,18H.
What are the key properties of 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde?
5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde has a molecular weight of 257.24 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3764399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).