8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C11H14FN3O2 — CID 175651458

IUPAC8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cncnc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H14FN3O2/c12-9-7-13-8-14-10(9)15-3-1-11(2-4-15)16-5-6-17-11/h7-8H,1-6H2
InChIKeyGEFKQBMOPMZCAB-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.96
Rot. Bonds1

About 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 175651458) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID175651458
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cncnc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H14FN3O2/c12-9-7-13-8-14-10(9)15-3-1-11(2-4-15)16-5-6-17-11/h7-8H,1-6H2
InChIKeyGEFKQBMOPMZCAB-UHFFFAOYSA-N
XLogP0.96
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 175651458) is 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is Fc1cncnc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is GEFKQBMOPMZCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-7-13-8-14-10(9)15-3-1-11(2-4-15)16-5-6-17-11/h7-8H,1-6H2.
What are the key properties of 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 239.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 175651458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).