1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione

C9H15FN2O2 — CID 80697304

IUPAC1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(CCF)C1=O
InChIInChI=1S/C9H15FN2O2/c1-6(2)8-9(14)12(4-3-10)5-7(13)11-8/h6,8H,3-5H2,1-2H3,(H,11,13)
InChIKeyINONVHHWLLUVRR-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.06
Rot. Bonds3

About 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione

1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 80697304) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID80697304
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(CCF)C1=O
InChIInChI=1S/C9H15FN2O2/c1-6(2)8-9(14)12(4-3-10)5-7(13)11-8/h6,8H,3-5H2,1-2H3,(H,11,13)
InChIKeyINONVHHWLLUVRR-UHFFFAOYSA-N
XLogP-0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103184685
3-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79350115
1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107902421
1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 103465478
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
1-(2-ethoxy-2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 114944470
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879364

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione (CID 80697304) is 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(CCF)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is INONVHHWLLUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-6(2)8-9(14)12(4-3-10)5-7(13)11-8/h6,8H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 202.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 80697304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).