1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde

C12H10F3NO — CID 102910127

IUPAC1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(CCC(F)(F)F)c12
InChIInChI=1S/C12H10F3NO/c13-12(14,15)5-7-16-6-4-9-2-1-3-10(8-17)11(9)16/h1-4,6,8H,5,7H2
InChIKeyYXDXSGUFJMGWRC-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.41
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde

1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde (PubChem CID 102910127) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
PubChem CID102910127
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(CCC(F)(F)F)c12
InChIInChI=1S/C12H10F3NO/c13-12(14,15)5-7-16-6-4-9-2-1-3-10(8-17)11(9)16/h1-4,6,8H,5,7H2
InChIKeyYXDXSGUFJMGWRC-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.41
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-(3,3,3-trifluoropropyl)indole-7-carbaldehyde?
The IUPAC name of 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde (CID 102910127) is 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde is O=Cc1cccc2ccn(CCC(F)(F)F)c12.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde?
The InChIKey is YXDXSGUFJMGWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)5-7-16-6-4-9-2-1-3-10(8-17)11(9)16/h1-4,6,8H,5,7H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde?
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde has a molecular weight of 241.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde is sourced from PubChem (CID 102910127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).