8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C15H25FN2O2 — CID 81113250

IUPAC8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)C1NC(=O)C2(CCCC2)N(CCCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-14(2,3)11-12(19)18(10-6-9-16)15(13(20)17-11)7-4-5-8-15/h11H,4-10H2,1-3H3,(H,17,20)
InChIKeyWYEBVOUOISGEAQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.03
Rot. Bonds3

About 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 81113250) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID81113250
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)C1NC(=O)C2(CCCC2)N(CCCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-14(2,3)11-12(19)18(10-6-9-16)15(13(20)17-11)7-4-5-8-15/h11H,4-10H2,1-3H3,(H,17,20)
InChIKeyWYEBVOUOISGEAQ-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 81113250) is 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CC(C)(C)C1NC(=O)C2(CCCC2)N(CCCF)C1=O.
What is the InChIKey of 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is WYEBVOUOISGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-14(2,3)11-12(19)18(10-6-9-16)15(13(20)17-11)7-4-5-8-15/h11H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 284.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 81113250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).