15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane

C15H27FN2 — CID 80696436

IUPAC15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane
SMILESFCCN1CC2(CCCCC2)NCC12CCCC2
InChIInChI=1S/C15H27FN2/c16-10-11-18-13-14(6-2-1-3-7-14)17-12-15(18)8-4-5-9-15/h17H,1-13H2
InChIKeyGOTKTJAOQBBOPU-UHFFFAOYSA-N
MW254.39 g/mol
LogP2.88
Rot. Bonds2

About 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane

15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane (PubChem CID 80696436) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane.

Molecular Properties

Compound Name15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane
PubChem CID80696436
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Name15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane
SMILESFCCN1CC2(CCCCC2)NCC12CCCC2
InChIInChI=1S/C15H27FN2/c16-10-11-18-13-14(6-2-1-3-7-14)17-12-15(18)8-4-5-9-15/h17H,1-13H2
InChIKeyGOTKTJAOQBBOPU-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 ≤ 500254.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane?
The IUPAC name of 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane (CID 80696436) is 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane.
What is the SMILES notation for 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane?
The canonical SMILES for 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane is FCCN1CC2(CCCCC2)NCC12CCCC2.
What is the InChIKey of 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane?
The InChIKey is GOTKTJAOQBBOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2/c16-10-11-18-13-14(6-2-1-3-7-14)17-12-15(18)8-4-5-9-15/h17H,1-13H2.
What are the key properties of 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane?
15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane has a molecular weight of 254.39 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 15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane is sourced from PubChem (CID 80696436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).