2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone

C23H24F3NO2 — CID 66614884

IUPAC2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone
SMILESO=C(c1cn(CCCc2ccc(CCCCO)cc2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H24F3NO2/c24-23(25,26)22(29)20-16-27(21-9-2-1-8-19(20)21)14-5-7-18-12-10-17(11-13-18)6-3-4-15-28/h1-2,8-13,16,28H,3-7,14-15H2
InChIKeyCGTCBPYBDMQZOQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.33
Rot. Bonds9

About 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone

2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone (PubChem CID 66614884) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone
PubChem CID66614884
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone
SMILESO=C(c1cn(CCCc2ccc(CCCCO)cc2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H24F3NO2/c24-23(25,26)22(29)20-16-27(21-9-2-1-8-19(20)21)14-5-7-18-12-10-17(11-13-18)6-3-4-15-28/h1-2,8-13,16,28H,3-7,14-15H2
InChIKeyCGTCBPYBDMQZOQ-UHFFFAOYSA-N
XLogP5.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone (CID 66614884) is 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone is O=C(c1cn(CCCc2ccc(CCCCO)cc2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone?
The InChIKey is CGTCBPYBDMQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO2/c24-23(25,26)22(29)20-16-27(21-9-2-1-8-19(20)21)14-5-7-18-12-10-17(11-13-18)6-3-4-15-28/h1-2,8-13,16,28H,3-7,14-15H2.
What are the key properties of 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone?
2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone has a molecular weight of 403.44 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[3-[4-(4-hydroxybutyl)phenyl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 66614884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).