9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane

C9H15F2NO — CID 138991470

IUPAC9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
SMILESFC1(F)CCC2(CC1)CNCCO2
InChIInChI=1S/C9H15F2NO/c10-9(11)3-1-8(2-4-9)7-12-5-6-13-8/h12H,1-7H2
InChIKeyZHELATJEMNCGSJ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.55
Rot. Bonds

About 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane

9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 138991470) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
PubChem CID138991470
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
SMILESFC1(F)CCC2(CC1)CNCCO2
InChIInChI=1S/C9H15F2NO/c10-9(11)3-1-8(2-4-9)7-12-5-6-13-8/h12H,1-7H2
InChIKeyZHELATJEMNCGSJ-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
2,5-dioxa-8-azaspiro[3.5]nonane;ethane
CID 142444795
1,10-dioxa-4-azaspiro[5.6]dodecane
CID 65122138
1-oxa-9-azaspiro[3.6]decane
CID 118209885
5-oxa-2-thia-8-azaspiro[3.5]nonane
CID 83479262
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 89465603
7-oxa-3,10-diazaspiro[5.6]dodecane
CID 141353214
6,9-dioxa-2-azaspiro[4.6]undecane
CID 118210694
morpholine-2,2-diamine
CID 174971872

Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane (CID 138991470) is 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane is FC1(F)CCC2(CC1)CNCCO2.
What is the InChIKey of 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is ZHELATJEMNCGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)3-1-8(2-4-9)7-12-5-6-13-8/h12H,1-7H2.
What are the key properties of 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane?
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 191.22 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 138991470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).