2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane

C14H26F2N2 — CID 170064018

IUPAC2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC(F)(F)C2(CCNCC2)C1
InChIInChI=1S/C14H26F2N2/c1-12(2,3)10-18-9-6-14(15,16)13(11-18)4-7-17-8-5-13/h17H,4-11H2,1-3H3
InChIKeyQKWBHMUGEUBLMN-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.74
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane

2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane (PubChem CID 170064018) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane
PubChem CID170064018
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC(F)(F)C2(CCNCC2)C1
InChIInChI=1S/C14H26F2N2/c1-12(2,3)10-18-9-6-14(15,16)13(11-18)4-7-17-8-5-13/h17H,4-11H2,1-3H3
InChIKeyQKWBHMUGEUBLMN-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane (CID 170064018) is 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane is CC(C)(C)CN1CCC(F)(F)C2(CCNCC2)C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane?
The InChIKey is QKWBHMUGEUBLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-12(2,3)10-18-9-6-14(15,16)13(11-18)4-7-17-8-5-13/h17H,4-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane?
2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane has a molecular weight of 260.37 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5,5-difluoro-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 170064018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).