2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane

C12H19F2NO — CID 126845507

IUPAC2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane
SMILESFC1(F)C(C2CCOCC2)C12CCCNC2
InChIInChI=1S/C12H19F2NO/c13-12(14)10(9-2-6-16-7-3-9)11(12)4-1-5-15-8-11/h9-10,15H,1-8H2
InChIKeyVGVBCSCEAFCCPQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.05
Rot. Bonds1

About 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane

2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane (PubChem CID 126845507) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane
PubChem CID126845507
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane
SMILESFC1(F)C(C2CCOCC2)C12CCCNC2
InChIInChI=1S/C12H19F2NO/c13-12(14)10(9-2-6-16-7-3-9)11(12)4-1-5-15-8-11/h9-10,15H,1-8H2
InChIKeyVGVBCSCEAFCCPQ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane (CID 126845507) is 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane is FC1(F)C(C2CCOCC2)C12CCCNC2.
What is the InChIKey of 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane?
The InChIKey is VGVBCSCEAFCCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c13-12(14)10(9-2-6-16-7-3-9)11(12)4-1-5-15-8-11/h9-10,15H,1-8H2.
What are the key properties of 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane?
2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane has a molecular weight of 231.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane is sourced from PubChem (CID 126845507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).