2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride

C11H20ClF3N2O — CID 71782702

IUPAC2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-10(2,3)9(17)16-6-4-15(5-7-16)8-11(12,13)14;/h4-8H2,1-3H3;1H
InChIKeyKOVQGPWGFXPGAJ-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.16
Rot. Bonds1

About 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride

2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 71782702) has the molecular formula C11H20ClF3N2O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID71782702
Molecular FormulaC11H20ClF3N2O
Molecular Weight288.74 g/mol
Exact Mass288.12
IUPAC Name2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-10(2,3)9(17)16-6-4-15(5-7-16)8-11(12,13)14;/h4-8H2,1-3H3;1H
InChIKeyKOVQGPWGFXPGAJ-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 71782702) is 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride is CC(C)(C)C(=O)N1CCN(CC(F)(F)F)CC1.Cl.
What is the InChIKey of 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is KOVQGPWGFXPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O.ClH/c1-10(2,3)9(17)16-6-4-15(5-7-16)8-11(12,13)14;/h4-8H2,1-3H3;1H.
What are the key properties of 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride?
2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 71782702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).