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

C15H25FN2O2 — CID 80697750

IUPAC1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CC1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-11(2)10-12-13(19)18(9-8-16)15(14(20)17-12)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyKCLZZGQYIKDYKG-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.03
Rot. Bonds4

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

1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 80697750) has the molecular formula C15H25FN2O2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID80697750
Molecular FormulaC15H25FN2O2
Molecular Weight284.37 g/mol
Exact Mass284.19
IUPAC Name1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CC1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-11(2)10-12-13(19)18(9-8-16)15(14(20)17-12)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyKCLZZGQYIKDYKG-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 ≤ 500284.37
LogP ≤ 52.03
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-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 80697750) is 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)CC1NC(=O)C2(CCCCC2)N(CCF)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is KCLZZGQYIKDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-11(2)10-12-13(19)18(9-8-16)15(14(20)17-12)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 284.37 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 1-(2-fluoroethyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 80697750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).