2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one

C11H16F4N2O2 — CID 103732065

IUPAC2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C11H16F4N2O2/c1-7(2)8(18)16-3-5-17(6-4-16)10(19)11(14,15)9(12)13/h7,9H,3-6H2,1-2H3
InChIKeyXQNCAJUWJLHUIR-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.21
Rot. Bonds3

About 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 103732065) has the molecular formula C11H16F4N2O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one
PubChem CID103732065
Molecular FormulaC11H16F4N2O2
Molecular Weight284.25 g/mol
Exact Mass284.11
IUPAC Name2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C11H16F4N2O2/c1-7(2)8(18)16-3-5-17(6-4-16)10(19)11(14,15)9(12)13/h7,9H,3-6H2,1-2H3
InChIKeyXQNCAJUWJLHUIR-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CID 79805487
2,2,3,3-tetrafluoro-1-morpholin-4-ylpropan-1-one
CID 3621669
1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 113250977
2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CID 55122271
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 103747253
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 103733241
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103732773
5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid
CID 122118908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one (CID 103732065) is 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(C(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is XQNCAJUWJLHUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O2/c1-7(2)8(18)16-3-5-17(6-4-16)10(19)11(14,15)9(12)13/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 284.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 103732065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).