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

C14H23FN2O2 — CID 80698314

IUPAC1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)C1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C14H23FN2O2/c1-10(2)11-12(18)17(9-8-15)14(13(19)16-11)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3,(H,16,19)
InChIKeyGOQXBLISCVVBGB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.64
Rot. Bonds3

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

1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 80698314) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID80698314
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)C1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C14H23FN2O2/c1-10(2)11-12(18)17(9-8-15)14(13(19)16-11)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3,(H,16,19)
InChIKeyGOQXBLISCVVBGB-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 80698314) is 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)C1NC(=O)C2(CCCCC2)N(CCF)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is GOQXBLISCVVBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-10(2)11-12(18)17(9-8-15)14(13(19)16-11)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3,(H,16,19).
What are the key properties of 1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(2-fluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 270.35 g/mol, XLogP of 1.64, 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-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 80698314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).