2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane

C15H25F2NO — CID 170676524

IUPAC2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane
SMILESCC(C)OCC1(CN2CCCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C15H25F2NO/c1-12(2)19-11-13(5-6-13)9-18-7-3-4-14(10-18)8-15(14,16)17/h12H,3-11H2,1-2H3
InChIKeyXFCKYCKQBODGHQ-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.31
Rot. Bonds5

About 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane

2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane (PubChem CID 170676524) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane
PubChem CID170676524
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane
SMILESCC(C)OCC1(CN2CCCC3(C2)CC3(F)F)CC1
InChIInChI=1S/C15H25F2NO/c1-12(2)19-11-13(5-6-13)9-18-7-3-4-14(10-18)8-15(14,16)17/h12H,3-11H2,1-2H3
InChIKeyXFCKYCKQBODGHQ-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.31
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-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane (CID 170676524) is 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane is CC(C)OCC1(CN2CCCC3(C2)CC3(F)F)CC1.
What is the InChIKey of 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane?
The InChIKey is XFCKYCKQBODGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-12(2)19-11-13(5-6-13)9-18-7-3-4-14(10-18)8-15(14,16)17/h12H,3-11H2,1-2H3.
What are the key properties of 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane?
2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane has a molecular weight of 273.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane is sourced from PubChem (CID 170676524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).