6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione

C12H21FN2O2 — CID 80696754

IUPAC6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O
InChIInChI=1S/C12H21FN2O2/c1-11(2,3)8-9(16)14-12(4,5)10(17)15(8)7-6-13/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyKMHYTQXSAGPDBL-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.11
Rot. Bonds2

About 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione

6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 80696754) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID80696754
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Name6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O
InChIInChI=1S/C12H21FN2O2/c1-11(2,3)8-9(16)14-12(4,5)10(17)15(8)7-6-13/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyKMHYTQXSAGPDBL-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione (CID 80696754) is 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)C(C(C)(C)C)N(CCF)C1=O.
What is the InChIKey of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is KMHYTQXSAGPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O2/c1-11(2,3)8-9(16)14-12(4,5)10(17)15(8)7-6-13/h8H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 244.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 80696754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).