8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C14H21F3N2O2 — CID 64885130

IUPAC8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)C1C(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-12(2,3)9-10(20)18-13(6-4-5-7-13)11(21)19(9)8-14(15,16)17/h9H,4-8H2,1-3H3,(H,18,20)
InChIKeyFNFVETHHQJOBSN-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.23
Rot. Bonds1

About 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64885130) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64885130
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)C1C(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-12(2,3)9-10(20)18-13(6-4-5-7-13)11(21)19(9)8-14(15,16)17/h9H,4-8H2,1-3H3,(H,18,20)
InChIKeyFNFVETHHQJOBSN-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64885130) is 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CC(C)(C)C1C(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F.
What is the InChIKey of 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is FNFVETHHQJOBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-12(2,3)9-10(20)18-13(6-4-5-7-13)11(21)19(9)8-14(15,16)17/h9H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 306.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64885130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).