1-(3,5-difluorophenyl)indole-6-carbaldehyde

C15H9F2NO — CID 122475993

IUPAC1-(3,5-difluorophenyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(-c3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C15H9F2NO/c16-12-6-13(17)8-14(7-12)18-4-3-11-2-1-10(9-19)5-15(11)18/h1-9H
InChIKeyQYTICMOONVCBEA-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.72
Rot. Bonds2

About 1-(3,5-difluorophenyl)indole-6-carbaldehyde

1-(3,5-difluorophenyl)indole-6-carbaldehyde (PubChem CID 122475993) has the molecular formula C15H9F2NO and a molecular weight of 257.24 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)indole-6-carbaldehyde.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)indole-6-carbaldehyde
PubChem CID122475993
Molecular FormulaC15H9F2NO
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name1-(3,5-difluorophenyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(-c3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C15H9F2NO/c16-12-6-13(17)8-14(7-12)18-4-3-11-2-1-10(9-19)5-15(11)18/h1-9H
InChIKeyQYTICMOONVCBEA-UHFFFAOYSA-N
XLogP3.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
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 1-(3,5-difluorophenyl)indole-6-carbaldehyde?
The IUPAC name of 1-(3,5-difluorophenyl)indole-6-carbaldehyde (CID 122475993) is 1-(3,5-difluorophenyl)indole-6-carbaldehyde.
What is the SMILES notation for 1-(3,5-difluorophenyl)indole-6-carbaldehyde?
The canonical SMILES for 1-(3,5-difluorophenyl)indole-6-carbaldehyde is O=Cc1ccc2ccn(-c3cc(F)cc(F)c3)c2c1.
What is the InChIKey of 1-(3,5-difluorophenyl)indole-6-carbaldehyde?
The InChIKey is QYTICMOONVCBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO/c16-12-6-13(17)8-14(7-12)18-4-3-11-2-1-10(9-19)5-15(11)18/h1-9H.
What are the key properties of 1-(3,5-difluorophenyl)indole-6-carbaldehyde?
1-(3,5-difluorophenyl)indole-6-carbaldehyde has a molecular weight of 257.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)indole-6-carbaldehyde is sourced from PubChem (CID 122475993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).