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

C12H19FN2O2 — CID 80697289

IUPAC1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C12H19FN2O2/c1-9-10(16)15(8-7-13)12(11(17)14-9)5-3-2-4-6-12/h9H,2-8H2,1H3,(H,14,17)
InChIKeyKBIHKYUVLRFGDU-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.01
Rot. Bonds2

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

1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 80697289) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID80697289
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C12H19FN2O2/c1-9-10(16)15(8-7-13)12(11(17)14-9)5-3-2-4-6-12/h9H,2-8H2,1H3,(H,14,17)
InChIKeyKBIHKYUVLRFGDU-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.01
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-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 80697289) is 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1NC(=O)C2(CCCCC2)N(CCF)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is KBIHKYUVLRFGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-9-10(16)15(8-7-13)12(11(17)14-9)5-3-2-4-6-12/h9H,2-8H2,1H3,(H,14,17).
What are the key properties of 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 242.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 80697289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).