1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione

C8H11FN2O2 — CID 166103298

IUPAC1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione
SMILESO=C1NCCN(C2(CF)CC2)C1=O
InChIInChI=1S/C8H11FN2O2/c9-5-8(1-2-8)11-4-3-10-6(12)7(11)13/h1-5H2,(H,10,12)
InChIKeyZWNJSBURZRUNQQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.55
Rot. Bonds2

About 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione

1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione (PubChem CID 166103298) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione
PubChem CID166103298
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione
SMILESO=C1NCCN(C2(CF)CC2)C1=O
InChIInChI=1S/C8H11FN2O2/c9-5-8(1-2-8)11-4-3-10-6(12)7(11)13/h1-5H2,(H,10,12)
InChIKeyZWNJSBURZRUNQQ-UHFFFAOYSA-N
XLogP-0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione?
The IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione (CID 166103298) is 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione?
The canonical SMILES for 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione is O=C1NCCN(C2(CF)CC2)C1=O.
What is the InChIKey of 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione?
The InChIKey is ZWNJSBURZRUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c9-5-8(1-2-8)11-4-3-10-6(12)7(11)13/h1-5H2,(H,10,12).
What are the key properties of 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione?
1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione has a molecular weight of 186.19 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethyl)cyclopropyl]piperazine-2,3-dione is sourced from PubChem (CID 166103298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).