2,2,2-trifluoroethyl piperazine-1-carboxylate

C7H11F3N2O2 — CID 65173246

IUPAC2,2,2-trifluoroethyl piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-14-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyOQGNQVCQOCTBSE-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.59
Rot. Bonds1

About 2,2,2-trifluoroethyl piperazine-1-carboxylate

2,2,2-trifluoroethyl piperazine-1-carboxylate (PubChem CID 65173246) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl piperazine-1-carboxylate
PubChem CID65173246
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2,2,2-trifluoroethyl piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-14-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyOQGNQVCQOCTBSE-UHFFFAOYSA-N
XLogP0.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazinecarboxylic acid, ethyl ester
CID 8431
1-Piperazinecarboxylic acid, ethyl ester, hydrochloride (1:1)
CID 90438
2,2,2-Trifluoroethyl 4-methylpiperazine-1-carboxylate
CID 9207799
Ethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 60705337
2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate
CID 65173321
Piperazine-1-carboxylic acid 3,3,3-trifluoro-propyl ester
CID 68598860
1-Fluorobutyl piperazine-1-carboxylate
CID 68722112
Ethyl 2-(trifluoromethyl)piperazine-1-carboxylate
CID 68748552
Trifluoromethyl piperazine-1-carboxylate
CID 89286484
1,1,1,3,3,3-Hexafluoropropan-2-yl piperazine-1-carboxylate
CID 89682816
1,1,1-Trifluoropropan-2-yl piperazine-1-carboxylate
CID 118256126
1,1,1,3,3,3-Hexafluoropropan-2-yl piperazine-1-carboxylate hydrochloride
CID 122529939

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl piperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl piperazine-1-carboxylate (CID 65173246) is 2,2,2-trifluoroethyl piperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl piperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl piperazine-1-carboxylate is O=C(OCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 2,2,2-trifluoroethyl piperazine-1-carboxylate?
The InChIKey is OQGNQVCQOCTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5-14-6(13)12-3-1-11-2-4-12/h11H,1-5H2.
What are the key properties of 2,2,2-trifluoroethyl piperazine-1-carboxylate?
2,2,2-trifluoroethyl piperazine-1-carboxylate has a molecular weight of 212.17 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl piperazine-1-carboxylate is sourced from PubChem (CID 65173246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).