(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione

C10H15F3N2O3 — CID 146435298

IUPAC(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione
SMILESCC(C)(C)OC[C@H]1C(=O)NCC(=O)N1C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(2,3)18-5-6-8(17)14-4-7(16)15(6)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)/t6-/m0/s1
InChIKeyPKCISQXZWGAXBY-LURJTMIESA-N
MW268.23 g/mol
LogP0.65
Rot. Bonds2

About (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione

(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione (PubChem CID 146435298) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione
PubChem CID146435298
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione
SMILESCC(C)(C)OC[C@H]1C(=O)NCC(=O)N1C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(2,3)18-5-6-8(17)14-4-7(16)15(6)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)/t6-/m0/s1
InChIKeyPKCISQXZWGAXBY-LURJTMIESA-N
XLogP0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione?
The IUPAC name of (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione (CID 146435298) is (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione.
What is the SMILES notation for (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione?
The canonical SMILES for (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione is CC(C)(C)OC[C@H]1C(=O)NCC(=O)N1C(F)(F)F.
What is the InChIKey of (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione?
The InChIKey is PKCISQXZWGAXBY-LURJTMIESA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(2,3)18-5-6-8(17)14-4-7(16)15(6)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)/t6-/m0/s1.
What are the key properties of (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione?
(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione has a molecular weight of 268.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione is sourced from PubChem (CID 146435298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).