1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane

C13H23F3N2 — CID 113326641

IUPAC1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)CCCN1CCNCC12CCCCC2
InChIInChI=1S/C13H23F3N2/c14-13(15,16)7-4-9-18-10-8-17-11-12(18)5-2-1-3-6-12/h17H,1-11H2
InChIKeyUVQJPDCZWKHFBQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane

1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 113326641) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane
PubChem CID113326641
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)CCCN1CCNCC12CCCCC2
InChIInChI=1S/C13H23F3N2/c14-13(15,16)7-4-9-18-10-8-17-11-12(18)5-2-1-3-6-12/h17H,1-11H2
InChIKeyUVQJPDCZWKHFBQ-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane (CID 113326641) is 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane is FC(F)(F)CCCN1CCNCC12CCCCC2.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is UVQJPDCZWKHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c14-13(15,16)7-4-9-18-10-8-17-11-12(18)5-2-1-3-6-12/h17H,1-11H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane?
1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 264.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 113326641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).