7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione

C14H15FN2O3 — CID 110921257

IUPAC7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C14H15FN2O3/c15-10-5-2-1-4-9(10)11(18)8-17-12(19)14(6-3-7-14)16-13(17)20/h1-2,4-5,11,18H,3,6-8H2,(H,16,20)
InChIKeyMXBZDXXFANNCKW-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.33
Rot. Bonds3

About 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione

7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 110921257) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID110921257
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1CC(O)c1ccccc1F
InChIInChI=1S/C14H15FN2O3/c15-10-5-2-1-4-9(10)11(18)8-17-12(19)14(6-3-7-14)16-13(17)20/h1-2,4-5,11,18H,3,6-8H2,(H,16,20)
InChIKeyMXBZDXXFANNCKW-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
CID 113463158
3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 47053145
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 51106602
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 111476758
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
3-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385012
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42946430

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione (CID 110921257) is 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1CC(O)c1ccccc1F.
What is the InChIKey of 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is MXBZDXXFANNCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-10-5-2-1-4-9(10)11(18)8-17-12(19)14(6-3-7-14)16-13(17)20/h1-2,4-5,11,18H,3,6-8H2,(H,16,20).
What are the key properties of 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 278.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 110921257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).