2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane

C12H25F2NO — CID 177010249

IUPAC2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane
SMILESCC.CCOC.CN1CCC2(C1)CC2(F)F
InChIInChI=1S/C7H11F2N.C3H8O.C2H6/c1-10-3-2-6(5-10)4-7(6,8)9;1-3-4-2;1-2/h2-5H2,1H3;3H2,1-2H3;1-2H3
InChIKeyQHGRENPTVHIJSR-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.03
Rot. Bonds1

About 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane

2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane (PubChem CID 177010249) has the molecular formula C12H25F2NO and a molecular weight of 237.33 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane
PubChem CID177010249
Molecular FormulaC12H25F2NO
Molecular Weight237.33 g/mol
Exact Mass237.19
IUPAC Name2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane
SMILESCC.CCOC.CN1CCC2(C1)CC2(F)F
InChIInChI=1S/C7H11F2N.C3H8O.C2H6/c1-10-3-2-6(5-10)4-7(6,8)9;1-3-4-2;1-2/h2-5H2,1H3;3H2,1-2H3;1-2H3
InChIKeyQHGRENPTVHIJSR-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane?
The IUPAC name of 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane (CID 177010249) is 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane.
What is the SMILES notation for 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane?
The canonical SMILES for 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane is CC.CCOC.CN1CCC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane?
The InChIKey is QHGRENPTVHIJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.C3H8O.C2H6/c1-10-3-2-6(5-10)4-7(6,8)9;1-3-4-2;1-2/h2-5H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane?
2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane has a molecular weight of 237.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane is sourced from PubChem (CID 177010249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).