ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate

C12H21F3N2O3 — CID 171097146

IUPACethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate
SMILESCC.CCCN1CCN(C(=O)OCC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O3.C2H6/c1-2-3-14-4-5-15(6-8(14)16)9(17)18-7-10(11,12)13;1-2/h2-7H2,1H3;1-2H3
InChIKeyCVLCJYCHDATSKN-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.27
Rot. Bonds3

About ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate

ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate (PubChem CID 171097146) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate
PubChem CID171097146
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Nameethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate
SMILESCC.CCCN1CCN(C(=O)OCC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O3.C2H6/c1-2-3-14-4-5-15(6-8(14)16)9(17)18-7-10(11,12)13;1-2/h2-7H2,1H3;1-2H3
InChIKeyCVLCJYCHDATSKN-UHFFFAOYSA-N
XLogP2.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate?
The IUPAC name of ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate (CID 171097146) is ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate.
What is the SMILES notation for ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate?
The canonical SMILES for ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate is CC.CCCN1CCN(C(=O)OCC(F)(F)F)CC1=O.
What is the InChIKey of ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate?
The InChIKey is CVLCJYCHDATSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3.C2H6/c1-2-3-14-4-5-15(6-8(14)16)9(17)18-7-10(11,12)13;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate?
ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate has a molecular weight of 298.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoroethyl 3-oxo-4-propylpiperazine-1-carboxylate is sourced from PubChem (CID 171097146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).