2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate

C11H17F3N2O3 — CID 60706001

IUPAC2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)C(=O)N1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-8(2)9(17)15-3-5-16(6-4-15)10(18)19-7-11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyWITDFDBBMWXKRL-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.49
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate

2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate (PubChem CID 60706001) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
PubChem CID60706001
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)C(=O)N1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-8(2)9(17)15-3-5-16(6-4-15)10(18)19-7-11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyWITDFDBBMWXKRL-UHFFFAOYSA-N
XLogP1.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.49
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-(2-methylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate (CID 60706001) is 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate is CC(C)C(=O)N1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate?
The InChIKey is WITDFDBBMWXKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-8(2)9(17)15-3-5-16(6-4-15)10(18)19-7-11(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate?
2,2,2-trifluoroethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 1.49, 2 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-(2-methylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 60706001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).