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

C13H27F2NO2 — CID 176564044

IUPAC11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
SMILESCC.CC.CN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C9H15F2NO2.2C2H6/c1-12-4-3-9(8(10,11)7-12)13-5-2-6-14-9;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyHRFKTWUURCCWQF-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.14
Rot. Bonds

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

11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane (PubChem CID 176564044) has the molecular formula C13H27F2NO2 and a molecular weight of 267.36 g/mol. Its IUPAC name is 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane.

Molecular Properties

Compound Name11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
PubChem CID176564044
Molecular FormulaC13H27F2NO2
Molecular Weight267.36 g/mol
Exact Mass267.20
IUPAC Name11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
SMILESCC.CC.CN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C9H15F2NO2.2C2H6/c1-12-4-3-9(8(10,11)7-12)13-5-2-6-14-9;2*1-2/h2-7H2,1H3;2*1-2H3
InChIKeyHRFKTWUURCCWQF-UHFFFAOYSA-N
XLogP3.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.14
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;ethane?
The IUPAC name of 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane (CID 176564044) is 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane.
What is the SMILES notation for 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane?
The canonical SMILES for 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane is CC.CC.CN1CCC2(OCCCO2)C(F)(F)C1.
What is the InChIKey of 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane?
The InChIKey is HRFKTWUURCCWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2.2C2H6/c1-12-4-3-9(8(10,11)7-12)13-5-2-6-14-9;2*1-2/h2-7H2,1H3;2*1-2H3.
What are the key properties of 11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane?
11,11-difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane has a molecular weight of 267.36 g/mol, XLogP of 3.14, 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;ethane is sourced from PubChem (CID 176564044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).