1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C30H39F3N2O2 — CID 67628827

IUPAC1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCN(CCCC)C(=O)CCCCCc1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C30H39F3N2O2/c1-3-5-19-35(20-6-4-2)26(36)18-9-7-8-13-22-14-12-17-24-23-15-10-11-16-25(23)28(27(22)24)29(37)34-21-30(31,32)33/h10-12,14-17,28H,3-9,13,18-21H2,1-2H3,(H,34,37)
InChIKeyUBTYFEUCFRYFHB-UHFFFAOYSA-N
MW516.65 g/mol
LogP7.01
Rot. Bonds14

About 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67628827) has the molecular formula C30H39F3N2O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound Name1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67628827
Molecular FormulaC30H39F3N2O2
Molecular Weight516.65 g/mol
Exact Mass516.30
IUPAC Name1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCN(CCCC)C(=O)CCCCCc1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C30H39F3N2O2/c1-3-5-19-35(20-6-4-2)26(36)18-9-7-8-13-22-14-12-17-24-23-15-10-11-16-25(23)28(27(22)24)29(37)34-21-30(31,32)33/h10-12,14-17,28H,3-9,13,18-21H2,1-2H3,(H,34,37)
InChIKeyUBTYFEUCFRYFHB-UHFFFAOYSA-N
XLogP7.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide 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 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67628827) is 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCCN(CCCC)C(=O)CCCCCc1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is UBTYFEUCFRYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39F3N2O2/c1-3-5-19-35(20-6-4-2)26(36)18-9-7-8-13-22-14-12-17-24-23-15-10-11-16-25(23)28(27(22)24)29(37)34-21-30(31,32)33/h10-12,14-17,28H,3-9,13,18-21H2,1-2H3,(H,34,37).
What are the key properties of 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 7.01, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67628827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).