11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane

C9H15F2NO2 — CID 176563569

IUPAC11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-12-4-3-9(8(10,11)7-12)13-5-2-6-14-9/h2-7H2,1H3
InChIKeyCILIDHZHUGFYIB-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.09
Rot. Bonds

About 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane

11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 176563569) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID176563569
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-12-4-3-9(8(10,11)7-12)13-5-2-6-14-9/h2-7H2,1H3
InChIKeyCILIDHZHUGFYIB-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 176563569) is 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane is CN1CCC2(OCCCO2)C(F)(F)C1.
What is the InChIKey of 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is CILIDHZHUGFYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12-4-3-9(8(10,11)7-12)13-5-2-6-14-9/h2-7H2,1H3.
What are the key properties of 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane?
11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 207.22 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 176563569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).