6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one

C11H19F3N2O — CID 116599298

IUPAC6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one
SMILESCC(C)(C(=O)CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-10(2,16-7-5-15-6-8-16)9(17)3-4-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyOMQICGCTFCEEDK-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.58
Rot. Bonds4

About 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one

6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one (PubChem CID 116599298) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one
PubChem CID116599298
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one
SMILESCC(C)(C(=O)CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H19F3N2O/c1-10(2,16-7-5-15-6-8-16)9(17)3-4-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyOMQICGCTFCEEDK-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one (CID 116599298) is 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one is CC(C)(C(=O)CCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one?
The InChIKey is OMQICGCTFCEEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(2,16-7-5-15-6-8-16)9(17)3-4-11(12,13)14/h15H,3-8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one?
6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one has a molecular weight of 252.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-piperazin-1-ylhexan-3-one is sourced from PubChem (CID 116599298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).