9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane

C11H14FN3O2 — CID 75482686

IUPAC9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(C2)OCCO3)nc1
InChIInChI=1S/C11H14FN3O2/c12-9-6-13-10(14-7-9)15-3-1-2-11(8-15)16-4-5-17-11/h6-7H,1-5,8H2
InChIKeyIOXYGWLDCKLUCW-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.96
Rot. Bonds1

About 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane

9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 75482686) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID75482686
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(C2)OCCO3)nc1
InChIInChI=1S/C11H14FN3O2/c12-9-6-13-10(14-7-9)15-3-1-2-11(8-15)16-4-5-17-11/h6-7H,1-5,8H2
InChIKeyIOXYGWLDCKLUCW-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 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane (CID 75482686) is 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane is Fc1cnc(N2CCCC3(C2)OCCO3)nc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is IOXYGWLDCKLUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-6-13-10(14-7-9)15-3-1-2-11(8-15)16-4-5-17-11/h6-7H,1-5,8H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane?
9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-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 9-(5-fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 75482686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).