7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C16H20FN3O3 — CID 91906936

IUPAC7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(CCOc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C16H20FN3O3/c1-18-14(21)16(19(2)15(18)22)7-8-20(11-16)9-10-23-13-5-3-12(17)4-6-13/h3-6H,7-11H2,1-2H3
InChIKeyRNFFZNDVIFHOGL-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.17
Rot. Bonds4

About 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 91906936) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID91906936
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(CCOc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C16H20FN3O3/c1-18-14(21)16(19(2)15(18)22)7-8-20(11-16)9-10-23-13-5-3-12(17)4-6-13/h3-6H,7-11H2,1-2H3
InChIKeyRNFFZNDVIFHOGL-UHFFFAOYSA-N
XLogP1.17
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
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 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 91906936) is 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CN1C(=O)N(C)C2(CCN(CCOc3ccc(F)cc3)C2)C1=O.
What is the InChIKey of 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RNFFZNDVIFHOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-18-14(21)16(19(2)15(18)22)7-8-20(11-16)9-10-23-13-5-3-12(17)4-6-13/h3-6H,7-11H2,1-2H3.
What are the key properties of 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 321.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluorophenoxy)ethyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 91906936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).