1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine

C11H17F2NO2 — CID 137484831

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine
SMILESFC1(F)CN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C11H17F2NO2/c12-10(13)7-14(8-10)9-1-3-11(4-2-9)15-5-6-16-11/h9H,1-8H2
InChIKeyLNZROASBUHGSAG-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.62
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine (PubChem CID 137484831) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine
PubChem CID137484831
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine
SMILESFC1(F)CN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C11H17F2NO2/c12-10(13)7-14(8-10)9-1-3-11(4-2-9)15-5-6-16-11/h9H,1-8H2
InChIKeyLNZROASBUHGSAG-UHFFFAOYSA-N
XLogP1.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine (CID 137484831) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine is FC1(F)CN(C2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine?
The InChIKey is LNZROASBUHGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-10(13)7-14(8-10)9-1-3-11(4-2-9)15-5-6-16-11/h9H,1-8H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine has a molecular weight of 233.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-difluoroazetidine is sourced from PubChem (CID 137484831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).