8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane

C14H26F2N2 — CID 64843228

IUPAC8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CN(CC(F)F)C2(CCCC2)CN1
InChIInChI=1S/C14H26F2N2/c1-13(2,3)11-8-18(9-12(15)16)14(10-17-11)6-4-5-7-14/h11-12,17H,4-10H2,1-3H3
InChIKeyXNASWXGEIFZKGS-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.88
Rot. Bonds2

About 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane

8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64843228) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64843228
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CN(CC(F)F)C2(CCCC2)CN1
InChIInChI=1S/C14H26F2N2/c1-13(2,3)11-8-18(9-12(15)16)14(10-17-11)6-4-5-7-14/h11-12,17H,4-10H2,1-3H3
InChIKeyXNASWXGEIFZKGS-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.88
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-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane (CID 64843228) is 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane is CC(C)(C)C1CN(CC(F)F)C2(CCCC2)CN1.
What is the InChIKey of 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is XNASWXGEIFZKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-13(2,3)11-8-18(9-12(15)16)14(10-17-11)6-4-5-7-14/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane?
8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 260.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64843228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).