2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide

C10H16F6N4O2 — CID 15938557

IUPAC2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide
SMILESO=C(NCCNCCNCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)19-5-3-17-1-2-18-4-6-20-8(22)10(14,15)16/h17-18H,1-6H2,(H,19,21)(H,20,22)
InChIKeyKZYWBHHMDVXULL-UHFFFAOYSA-N
MW338.25 g/mol
LogP-0.48
Rot. Bonds9

About 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide (PubChem CID 15938557) has the molecular formula C10H16F6N4O2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide
PubChem CID15938557
Molecular FormulaC10H16F6N4O2
Molecular Weight338.25 g/mol
Exact Mass338.12
IUPAC Name2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide
SMILESO=C(NCCNCCNCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)19-5-3-17-1-2-18-4-6-20-8(22)10(14,15)16/h17-18H,1-6H2,(H,19,21)(H,20,22)
InChIKeyKZYWBHHMDVXULL-UHFFFAOYSA-N
XLogP-0.48
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[3-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butylamino]propyl]acetamide
CID 388776
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 229755
2,2,2-trifluoro-N-{2-[(trifluoroacetyl)amino]ethyl}acetamide
CID 229756
1,2-Diaminoethane, N,N'-bis(pentafluoropropionyl)
CID 600476
N,N',N''-(2,2',2''-Nitrilotriethyl)tris(2,2,2-trifluoroacetamide)
CID 3640837
N-(2-aminoethyl)-2,2-difluoroacetamide;hydrochloride
CID 44592974
N1,N3-bis(2-(2,2,2-trifluoroacetamido)ethyl)-propane-1,3-diaminium trifluoroacetate
CID 46899573
2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 388778
1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane
CID 11431771
N,N'-(1,2-Ethanediylbis(imino-2,1-ethanediyl))bis(acetamide)
CID 76974421
2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide
CID 4216151
N-[2-(2,2-difluoroacetamido)ethyl]-2,2-difluoroacetamide
CID 2168339

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide (CID 15938557) is 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide is O=C(NCCNCCNCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide?
The InChIKey is KZYWBHHMDVXULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)19-5-3-17-1-2-18-4-6-20-8(22)10(14,15)16/h17-18H,1-6H2,(H,19,21)(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide has a molecular weight of 338.25 g/mol, XLogP of -0.48, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethyl]acetamide is sourced from PubChem (CID 15938557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).