2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde

C15H12FNOS — CID 3722111

IUPAC2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde
SMILESCc1cc(-c2[nH]c3ccc(F)cc3c2C=O)c(C)s1
InChIInChI=1S/C15H12FNOS/c1-8-5-11(9(2)19-8)15-13(7-18)12-6-10(16)3-4-14(12)17-15/h3-7,17H,1-2H3
InChIKeyULJNVKUDWCNJQU-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.46
Rot. Bonds2

About 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde

2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde (PubChem CID 3722111) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde
PubChem CID3722111
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde
SMILESCc1cc(-c2[nH]c3ccc(F)cc3c2C=O)c(C)s1
InChIInChI=1S/C15H12FNOS/c1-8-5-11(9(2)19-8)15-13(7-18)12-6-10(16)3-4-14(12)17-15/h3-7,17H,1-2H3
InChIKeyULJNVKUDWCNJQU-UHFFFAOYSA-N
XLogP4.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde (CID 3722111) is 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde is Cc1cc(-c2[nH]c3ccc(F)cc3c2C=O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde?
The InChIKey is ULJNVKUDWCNJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c1-8-5-11(9(2)19-8)15-13(7-18)12-6-10(16)3-4-14(12)17-15/h3-7,17H,1-2H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde?
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde has a molecular weight of 273.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3722111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).