2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine

C10H20F3N3O — CID 61492354

IUPAC2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O/c11-10(12,13)9-17-8-7-16-5-3-15(2-1-14)4-6-16/h1-9,14H2
InChIKeyVIBBKDWSWQJYGU-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.14
Rot. Bonds6

About 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine

2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine (PubChem CID 61492354) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine
PubChem CID61492354
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O/c11-10(12,13)9-17-8-7-16-5-3-15(2-1-14)4-6-16/h1-9,14H2
InChIKeyVIBBKDWSWQJYGU-UHFFFAOYSA-N
XLogP0.14
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine 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-Morpholinoethylamine
CID 408285
1-(2-Ethoxyethyl)piperazine
CID 2734643
N-(2-(4-Morpholinyl)ethyl)ethylenediamine
CID 79726
N-Ethyl-2-(morpholin-4-yl)ethan-1-amine
CID 14518967
1-(2-(Trifluoromethoxy)ethyl)piperazine dihydrochloride
CID 122163589
1-(2-Ethoxyethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53590645
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
1-[2-(2-Fluoroethoxy)ethyl]piperazine
CID 22281469
(2-Morpholin-4-ylethyl)(2,2,2-trifluoroethyl)amine
CID 28583018
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 29005203
2-[2-(4-Methylpiperazin-1-yl)ethoxy]ethan-1-amine
CID 39237981
(2,2-Difluoroethyl)[2-(morpholin-4-yl)ethyl]amine
CID 50896662

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine (CID 61492354) is 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine is NCCN1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine?
The InChIKey is VIBBKDWSWQJYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c11-10(12,13)9-17-8-7-16-5-3-15(2-1-14)4-6-16/h1-9,14H2.
What are the key properties of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine?
2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine has a molecular weight of 255.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 61492354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).