3,3-difluoro-1-oxa-7-azaspiro[3.4]octane

C6H9F2NO — CID 155262798

IUPAC3,3-difluoro-1-oxa-7-azaspiro[3.4]octane
SMILESFC1(F)COC12CCNC2
InChIInChI=1S/C6H9F2NO/c7-6(8)4-10-5(6)1-2-9-3-5/h9H,1-4H2
InChIKeyIHBZDIKZAOMMJL-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.38
Rot. Bonds

About 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane

3,3-difluoro-1-oxa-7-azaspiro[3.4]octane (PubChem CID 155262798) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name3,3-difluoro-1-oxa-7-azaspiro[3.4]octane
PubChem CID155262798
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name3,3-difluoro-1-oxa-7-azaspiro[3.4]octane
SMILESFC1(F)COC12CCNC2
InChIInChI=1S/C6H9F2NO/c7-6(8)4-10-5(6)1-2-9-3-5/h9H,1-4H2
InChIKeyIHBZDIKZAOMMJL-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-3,4,4-trifluoropiperidine
CID 84770912
3,3-difluoro-4-methylpiperidin-4-ol
CID 156550387
[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine
CID 165469681
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
11,11-difluoro-3-azaspiro[5.5]undecane
CID 135392962
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
CID 138991470
6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
6,6-difluoro-1,4-diazepane;hydrochloride
CID 169219655

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane (CID 155262798) is 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane is FC1(F)COC12CCNC2.
What is the InChIKey of 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is IHBZDIKZAOMMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)4-10-5(6)1-2-9-3-5/h9H,1-4H2.
What are the key properties of 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane?
3,3-difluoro-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 149.14 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 155262798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).