1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid

C10H18F4N2O3 — CID 87998446

IUPAC1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid
SMILESFCCOCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17FN2O.C2HF3O2/c9-1-7-12-8-6-11-4-2-10-3-5-11;3-2(4,5)1(6)7/h10H,1-8H2;(H,6,7)
InChIKeyITGQKJOWGKMJBP-UHFFFAOYSA-N
MW290.26 g/mol
LogP0.51
Rot. Bonds5

About 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid

1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid (PubChem CID 87998446) has the molecular formula C10H18F4N2O3 and a molecular weight of 290.26 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid
PubChem CID87998446
Molecular FormulaC10H18F4N2O3
Molecular Weight290.26 g/mol
Exact Mass290.13
IUPAC Name1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid
SMILESFCCOCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17FN2O.C2HF3O2/c9-1-7-12-8-6-11-4-2-10-3-5-11;3-2(4,5)1(6)7/h10H,1-8H2;(H,6,7)
InChIKeyITGQKJOWGKMJBP-UHFFFAOYSA-N
XLogP0.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Oxetan-3-yl)piperazine; bis(trifluoroacetic acid)
CID 71757861
2-{[2-(Morpholin-4-yl)ethyl]amino}acetic acid
CID 28897547
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]piperazine;2,2,2-trifluoroacetic acid
CID 22011783
Morpholine, trifluoroacetate
CID 46242206
1-(2-Methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
CID 67376513
3-Morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 68771782
2-Morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 68772352
1-Fluoro-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid
CID 70085402
2-(2-Piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
CID 70086364
2-Piperazin-1-ylethyl 2,2,2-trifluoroacetate
CID 84437057
Ethyl 2-(2,6-dimethylpiperazin-1-yl)propanoate;2,2,2-trifluoroacetic acid
CID 87640590
2-amino-N-(3-morpholin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
CID 87723469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid (CID 87998446) is 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid is FCCOCCN1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is ITGQKJOWGKMJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O.C2HF3O2/c9-1-7-12-8-6-11-4-2-10-3-5-11;3-2(4,5)1(6)7/h10H,1-8H2;(H,6,7).
What are the key properties of 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid?
1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 290.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87998446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).