[9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate

C24H28F3N3O2 — CID 70142272

IUPAC[9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OC1(CCCCN2CCNCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)17-29-22(31)32-23(11-5-6-14-30-15-12-28-13-16-30)20-9-3-1-7-18(20)19-8-2-4-10-21(19)23/h1-4,7-10,28H,5-6,11-17H2,(H,29,31)
InChIKeyXRDYUEVUYJJUSB-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.27
Rot. Bonds7

About [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate

[9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 70142272) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name[9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate
PubChem CID70142272
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name[9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OC1(CCCCN2CCNCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)17-29-22(31)32-23(11-5-6-14-30-15-12-28-13-16-30)20-9-3-1-7-18(20)19-8-2-4-10-21(19)23/h1-4,7-10,28H,5-6,11-17H2,(H,29,31)
InChIKeyXRDYUEVUYJJUSB-UHFFFAOYSA-N
XLogP4.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate 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 [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate (CID 70142272) is [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate is O=C(NCC(F)(F)F)OC1(CCCCN2CCNCC2)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is XRDYUEVUYJJUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c25-24(26,27)17-29-22(31)32-23(11-5-6-14-30-15-12-28-13-16-30)20-9-3-1-7-18(20)19-8-2-4-10-21(19)23/h1-4,7-10,28H,5-6,11-17H2,(H,29,31).
What are the key properties of [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate?
[9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 447.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(4-piperazin-1-ylbutyl)fluoren-9-yl] N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 70142272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).