2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid

C10H15F3N2O4 — CID 103205836

IUPAC2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)7-19-6-8(16)15-3-1-14(2-4-15)5-9(17)18/h1-7H2,(H,17,18)
InChIKeyCXPICUANEAREFC-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.21
Rot. Bonds5

About 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid

2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid (PubChem CID 103205836) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid
PubChem CID103205836
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)7-19-6-8(16)15-3-1-14(2-4-15)5-9(17)18/h1-7H2,(H,17,18)
InChIKeyCXPICUANEAREFC-UHFFFAOYSA-N
XLogP-0.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Oxomorpholin-4-yl)acetic acid
CID 50990566
Diethyl N,N':N,N'-bis(ethylene)dioxamate
CID 46708292
2-Morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68772351
Ethylene-bis-oxamic acid trifluoroethyl ester
CID 86672882
2,2,2-Trifluoroethyl 2-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfanyl)piperazin-1-yl]-2-oxoacetate
CID 132199474
4,4,4-Trifluorobut-2-ynyl 2-morpholin-4-yl-2-oxoacetate
CID 139567676
[2-(4-Acetylpiperazin-1-yl)acetyl] 2,2,2-trifluoroacetate
CID 155797907
[2-[4-(2-Hydroxyacetyl)piperazin-1-yl]acetyl] 2,2,2-trifluoroacetate
CID 155797915
2-Methoxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172848533
2-(3-Oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate
CID 174550158
(2-Oxo-2-piperazin-1-ylethyl) 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 174714339
2-[4-(2-Hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 175087939

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid (CID 103205836) is 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)COCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is CXPICUANEAREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)7-19-6-8(16)15-3-1-14(2-4-15)5-9(17)18/h1-7H2,(H,17,18).
What are the key properties of 2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 284.23 g/mol, XLogP of -0.21, 5 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)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 103205836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).