2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C7H12F3N3O — CID 90239473

IUPAC2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1CC(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)3-5-4-12-1-2-13(5)6(11)14/h5,12H,1-4H2,(H2,11,14)
InChIKeyLZRISWHOJZIWIJ-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.29
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 90239473) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID90239473
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1CC(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)3-5-4-12-1-2-13(5)6(11)14/h5,12H,1-4H2,(H2,11,14)
InChIKeyLZRISWHOJZIWIJ-UHFFFAOYSA-N
XLogP0.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 90239473) is 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is NC(=O)N1CCNCC1CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is LZRISWHOJZIWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)3-5-4-12-1-2-13(5)6(11)14/h5,12H,1-4H2,(H2,11,14).
What are the key properties of 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 211.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 90239473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).