2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione

C12H17F3N2O2 — CID 86125128

IUPAC2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)CC2(CCN(CC(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H17F3N2O2/c1-2-17-9(18)7-11(10(17)19)3-5-16(6-4-11)8-12(13,14)15/h2-8H2,1H3
InChIKeyFHXFORFSIVKKDF-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.41
Rot. Bonds2

About 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione

2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 86125128) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID86125128
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)CC2(CCN(CC(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H17F3N2O2/c1-2-17-9(18)7-11(10(17)19)3-5-16(6-4-11)8-12(13,14)15/h2-8H2,1H3
InChIKeyFHXFORFSIVKKDF-UHFFFAOYSA-N
XLogP1.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione (CID 86125128) is 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione is CCN1C(=O)CC2(CCN(CC(F)(F)F)CC2)C1=O.
What is the InChIKey of 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is FHXFORFSIVKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-2-17-9(18)7-11(10(17)19)3-5-16(6-4-11)8-12(13,14)15/h2-8H2,1H3.
What are the key properties of 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 278.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 86125128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).