3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione

C11H16F4N2O2 — CID 106290614

IUPAC3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C11H16F4N2O2/c1-4-10(3)9(19)17(6(2)7(18)16-10)5-11(14,15)8(12)13/h6,8H,4-5H2,1-3H3,(H,16,18)
InChIKeyBXXQOLWEMVVBJH-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.40
Rot. Bonds4

About 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione (PubChem CID 106290614) has the molecular formula C11H16F4N2O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
PubChem CID106290614
Molecular FormulaC11H16F4N2O2
Molecular Weight284.25 g/mol
Exact Mass284.11
IUPAC Name3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C11H16F4N2O2/c1-4-10(3)9(19)17(6(2)7(18)16-10)5-11(14,15)8(12)13/h6,8H,4-5H2,1-3H3,(H,16,18)
InChIKeyBXXQOLWEMVVBJH-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione (CID 106290614) is 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(CC(F)(F)C(F)F)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
The InChIKey is BXXQOLWEMVVBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O2/c1-4-10(3)9(19)17(6(2)7(18)16-10)5-11(14,15)8(12)13/h6,8H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione has a molecular weight of 284.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 106290614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).