3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H17FN2O3 — CID 3584642

IUPAC3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC1CCC2(C1)C(=O)N(C(=O)N2)CCOC3=CC=CC=C3F
InChIInChI=1S/C15H17FN2O3/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20)
InChIKeyLCRFKVJNXXHAQM-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.00
Rot. Bonds4

About 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 3584642) has the molecular formula C15H17FN2O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID3584642
Molecular FormulaC15H17FN2O3
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC1CCC2(C1)C(=O)N(C(=O)N2)CCOC3=CC=CC=C3F
InChIInChI=1S/C15H17FN2O3/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20)
InChIKeyLCRFKVJNXXHAQM-UHFFFAOYSA-N
XLogP2.00
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity423

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 3584642) is 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is C1CCC2(C1)C(=O)N(C(=O)N2)CCOC3=CC=CC=C3F.
What is the InChIKey of 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LCRFKVJNXXHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20).
What are the key properties of 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 292.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-Fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 3584642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).