3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H25FN2O2 — CID 80697444

IUPAC3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)C1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-3-11(2)12-13(19)18(10-9-16)15(14(20)17-12)7-5-4-6-8-15/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyUVWZOWOPIOIGEI-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.03
Rot. Bonds4

About 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 80697444) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID80697444
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)C1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-3-11(2)12-13(19)18(10-9-16)15(14(20)17-12)7-5-4-6-8-15/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyUVWZOWOPIOIGEI-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 80697444) is 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC(C)C1NC(=O)C2(CCCCC2)N(CCF)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is UVWZOWOPIOIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-3-11(2)12-13(19)18(10-9-16)15(14(20)17-12)7-5-4-6-8-15/h11-12H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 284.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 80697444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).