methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate

C10H15F2NO2 — CID 164645610

IUPACmethyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate
SMILESCOC(=O)CN1CCC2(CC1)CC2(F)F
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)6-13-4-2-9(3-5-13)7-10(9,11)12/h2-7H2,1H3
InChIKeyOEKDJUIOCRJCFC-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate

methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate (PubChem CID 164645610) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate
PubChem CID164645610
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Namemethyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate
SMILESCOC(=O)CN1CCC2(CC1)CC2(F)F
InChIInChI=1S/C10H15F2NO2/c1-15-8(14)6-13-4-2-9(3-5-13)7-10(9,11)12/h2-7H2,1H3
InChIKeyOEKDJUIOCRJCFC-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate?
The IUPAC name of methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate (CID 164645610) is methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate.
What is the SMILES notation for methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate?
The canonical SMILES for methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate is COC(=O)CN1CCC2(CC1)CC2(F)F.
What is the InChIKey of methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate?
The InChIKey is OEKDJUIOCRJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-15-8(14)6-13-4-2-9(3-5-13)7-10(9,11)12/h2-7H2,1H3.
What are the key properties of methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate?
methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate has a molecular weight of 219.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)acetate is sourced from PubChem (CID 164645610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).