3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H17F3N2O2 — CID 2622711

IUPAC3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)12-6-4-5-11(9-12)10-21-13(22)15(20-14(21)23)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H,20,23)
InChIKeyURSLTNDBAKWHBT-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.46
Rot. Bonds2

About 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2622711) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2622711
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)12-6-4-5-11(9-12)10-21-13(22)15(20-14(21)23)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H,20,23)
InChIKeyURSLTNDBAKWHBT-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2622711) is 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is URSLTNDBAKWHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)12-6-4-5-11(9-12)10-21-13(22)15(20-14(21)23)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H,20,23).
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 326.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2622711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).