7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane

C7H11F2NO2 — CID 146275131

IUPAC7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane
SMILESFC(F)OC1COC2(CNC2)C1
InChIInChI=1S/C7H11F2NO2/c8-6(9)12-5-1-7(11-2-5)3-10-4-7/h5-6,10H,1-4H2
InChIKeyWKCAKFUMKMPWNR-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.36
Rot. Bonds2

About 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane

7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 146275131) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane
PubChem CID146275131
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane
SMILESFC(F)OC1COC2(CNC2)C1
InChIInChI=1S/C7H11F2NO2/c8-6(9)12-5-1-7(11-2-5)3-10-4-7/h5-6,10H,1-4H2
InChIKeyWKCAKFUMKMPWNR-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane (CID 146275131) is 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane is FC(F)OC1COC2(CNC2)C1.
What is the InChIKey of 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is WKCAKFUMKMPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)12-5-1-7(11-2-5)3-10-4-7/h5-6,10H,1-4H2.
What are the key properties of 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane?
7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 179.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 146275131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).