1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione

C9H15FN2O2 — CID 142485474

IUPAC1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CCN(CCF)C(=O)C1=O
InChIInChI=1S/C9H15FN2O2/c1-7(2)12-6-5-11(4-3-10)8(13)9(12)14/h7H,3-6H2,1-2H3
InChIKeyMWNZAPCBHJVGSU-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.04
Rot. Bonds3

About 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione

1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione (PubChem CID 142485474) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione
PubChem CID142485474
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CCN(CCF)C(=O)C1=O
InChIInChI=1S/C9H15FN2O2/c1-7(2)12-6-5-11(4-3-10)8(13)9(12)14/h7H,3-6H2,1-2H3
InChIKeyMWNZAPCBHJVGSU-UHFFFAOYSA-N
XLogP0.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.04
H-Bond Donors ≤ 50
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-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione?
The IUPAC name of 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione (CID 142485474) is 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione?
The canonical SMILES for 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione is CC(C)N1CCN(CCF)C(=O)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione?
The InChIKey is MWNZAPCBHJVGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-7(2)12-6-5-11(4-3-10)8(13)9(12)14/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione?
1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione has a molecular weight of 202.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-propan-2-ylpiperazine-2,3-dione is sourced from PubChem (CID 142485474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).