8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

C12H14F2N2O2 — CID 112675459

IUPAC8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c13-9-7-10(14)11(15-8-9)16-3-1-12(2-4-16)17-5-6-18-12/h7-8H,1-6H2
InChIKeySWIMEHQTMMUWCP-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.70
Rot. Bonds1

About 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112675459) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112675459
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c13-9-7-10(14)11(15-8-9)16-3-1-12(2-4-16)17-5-6-18-12/h7-8H,1-6H2
InChIKeySWIMEHQTMMUWCP-UHFFFAOYSA-N
XLogP1.70
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 112675459) is 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is Fc1cnc(N2CCC3(CC2)OCCO3)c(F)c1.
What is the InChIKey of 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SWIMEHQTMMUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-9-7-10(14)11(15-8-9)16-3-1-12(2-4-16)17-5-6-18-12/h7-8H,1-6H2.
What are the key properties of 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 256.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112675459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).