2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate

C12H17F3N2O4 — CID 65173794

IUPAC2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)8-21-11(19)17-5-3-16(4-6-17)10(18)9-2-1-7-20-9/h9H,1-8H2
InChIKeyYZAPYFFSNYGBQZ-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.01
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate

2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate (PubChem CID 65173794) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
PubChem CID65173794
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)8-21-11(19)17-5-3-16(4-6-17)10(18)9-2-1-7-20-9/h9H,1-8H2
InChIKeyYZAPYFFSNYGBQZ-UHFFFAOYSA-N
XLogP1.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate (CID 65173794) is 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate is O=C(OCC(F)(F)F)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is YZAPYFFSNYGBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c13-12(14,15)8-21-11(19)17-5-3-16(4-6-17)10(18)9-2-1-7-20-9/h9H,1-8H2.
What are the key properties of 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 310.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 65173794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).