2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate

C11H19F3N2O2 — CID 61068496

IUPAC2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)N1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)16-6-4-15(5-7-16)9(17)18-8-11(12,13)14/h4-8H2,1-3H3
InChIKeyBXFJYZXSVHHSEU-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.10
Rot. Bonds1

About 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate

2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate (PubChem CID 61068496) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate
PubChem CID61068496
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)N1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)16-6-4-15(5-7-16)9(17)18-8-11(12,13)14/h4-8H2,1-3H3
InChIKeyBXFJYZXSVHHSEU-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate (CID 61068496) is 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate is CC(C)(C)N1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate?
The InChIKey is BXFJYZXSVHHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)16-6-4-15(5-7-16)9(17)18-8-11(12,13)14/h4-8H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate?
2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-tert-butylpiperazine-1-carboxylate is sourced from PubChem (CID 61068496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).