2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide

C16H27F6N3O2 — CID 87127221

IUPAC2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide
SMILESO=C(NCCCCCCNCCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H27F6N3O2/c17-15(18,19)13(26)24-11-7-3-1-5-9-23-10-6-2-4-8-12-25-14(27)16(20,21)22/h23H,1-12H2,(H,24,26)(H,25,27)
InChIKeyBQCNFKKZDPCYQL-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.05
Rot. Bonds14

About 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide

2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide (PubChem CID 87127221) has the molecular formula C16H27F6N3O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide
PubChem CID87127221
Molecular FormulaC16H27F6N3O2
Molecular Weight407.40 g/mol
Exact Mass407.20
IUPAC Name2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide
SMILESO=C(NCCCCCCNCCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H27F6N3O2/c17-15(18,19)13(26)24-11-7-3-1-5-9-23-10-6-2-4-8-12-25-14(27)16(20,21)22/h23H,1-12H2,(H,24,26)(H,25,27)
InChIKeyBQCNFKKZDPCYQL-UHFFFAOYSA-N
XLogP3.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide 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-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide (CID 87127221) is 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide is O=C(NCCCCCCNCCCCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide?
The InChIKey is BQCNFKKZDPCYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F6N3O2/c17-15(18,19)13(26)24-11-7-3-1-5-9-23-10-6-2-4-8-12-25-14(27)16(20,21)22/h23H,1-12H2,(H,24,26)(H,25,27).
What are the key properties of 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide?
2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide has a molecular weight of 407.40 g/mol, XLogP of 3.05, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]hexyl]acetamide is sourced from PubChem (CID 87127221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).