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

C14H21F3N2O2 — CID 64887040

IUPAC8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)CC1C(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-9(2)7-10-11(20)18-13(5-3-4-6-13)12(21)19(10)8-14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,20)
InChIKeyCANASDOUWQCAHJ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.23
Rot. Bonds3

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

8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64887040) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64887040
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)CC1C(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-9(2)7-10-11(20)18-13(5-3-4-6-13)12(21)19(10)8-14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,20)
InChIKeyCANASDOUWQCAHJ-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64887040) is 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CC(C)CC1C(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F.
What is the InChIKey of 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is CANASDOUWQCAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9(2)7-10-11(20)18-13(5-3-4-6-13)12(21)19(10)8-14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-(2-methylpropyl)-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, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64887040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).