2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C10H18F3N3O — CID 84598862

IUPAC2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(N)=O
InChIInChI=1S/C10H18F3N3O/c1-9(2)6-15(7-10(11,12)13)3-4-16(9)5-8(14)17/h3-7H2,1-2H3,(H2,14,17)
InChIKeyREKYGDQMEMEOPN-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.43
Rot. Bonds3

About 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 84598862) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID84598862
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(N)=O
InChIInChI=1S/C10H18F3N3O/c1-9(2)6-15(7-10(11,12)13)3-4-16(9)5-8(14)17/h3-7H2,1-2H3,(H2,14,17)
InChIKeyREKYGDQMEMEOPN-UHFFFAOYSA-N
XLogP0.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 84598862) is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is CC1(C)CN(CC(F)(F)F)CCN1CC(N)=O.
What is the InChIKey of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is REKYGDQMEMEOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(2)6-15(7-10(11,12)13)3-4-16(9)5-8(14)17/h3-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 253.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 84598862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).