propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate

C11H19F3N2O2 — CID 60705271

IUPACpropan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-9(2)18-10(17)7-15-3-5-16(6-4-15)8-11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyZZVGDUBOKIQGEK-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.12
Rot. Bonds4

About propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate

propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate (PubChem CID 60705271) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate
PubChem CID60705271
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Namepropan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-9(2)18-10(17)7-15-3-5-16(6-4-15)8-11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyZZVGDUBOKIQGEK-UHFFFAOYSA-N
XLogP1.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate (CID 60705271) is propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate is CC(C)OC(=O)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
The InChIKey is ZZVGDUBOKIQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9(2)18-10(17)7-15-3-5-16(6-4-15)8-11(12,13)14/h9H,3-8H2,1-2H3.
What are the key properties of propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate has a molecular weight of 268.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 60705271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).