6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane

C14H23F2NO — CID 176664237

IUPAC6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
SMILESCCOCC1(CN2CCC3(CC2)CC3(F)F)CC1
InChIInChI=1S/C14H23F2NO/c1-2-18-11-12(3-4-12)10-17-7-5-13(6-8-17)9-14(13,15)16/h2-11H2,1H3
InChIKeyPTMIFKDVKYNSBL-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.92
Rot. Bonds5

About 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane

6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane (PubChem CID 176664237) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
PubChem CID176664237
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
SMILESCCOCC1(CN2CCC3(CC2)CC3(F)F)CC1
InChIInChI=1S/C14H23F2NO/c1-2-18-11-12(3-4-12)10-17-7-5-13(6-8-17)9-14(13,15)16/h2-11H2,1H3
InChIKeyPTMIFKDVKYNSBL-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane?
The IUPAC name of 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane (CID 176664237) is 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane?
The canonical SMILES for 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane is CCOCC1(CN2CCC3(CC2)CC3(F)F)CC1.
What is the InChIKey of 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane?
The InChIKey is PTMIFKDVKYNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-2-18-11-12(3-4-12)10-17-7-5-13(6-8-17)9-14(13,15)16/h2-11H2,1H3.
What are the key properties of 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane?
6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane has a molecular weight of 259.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane is sourced from PubChem (CID 176664237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).