[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol

C15H25F2NO2 — CID 177010209

IUPAC[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol
SMILESCCOCC1(CN2CCC3(C[C@H]2CO)CC3(F)F)CC1
InChIInChI=1S/C15H25F2NO2/c1-2-20-11-13(3-4-13)10-18-6-5-14(7-12(18)8-19)9-15(14,16)17/h12,19H,2-11H2,1H3/t12-,14?/m0/s1
InChIKeyQWYHGUSRDFDHSI-NBFOIZRFSA-N
MW289.37 g/mol
LogP2.29
Rot. Bonds6

About [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol

[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol (PubChem CID 177010209) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol
PubChem CID177010209
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol
SMILESCCOCC1(CN2CCC3(C[C@H]2CO)CC3(F)F)CC1
InChIInChI=1S/C15H25F2NO2/c1-2-20-11-13(3-4-13)10-18-6-5-14(7-12(18)8-19)9-15(14,16)17/h12,19H,2-11H2,1H3/t12-,14?/m0/s1
InChIKeyQWYHGUSRDFDHSI-NBFOIZRFSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol with MolForge

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Related Compounds

6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 176664237
4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 170601732
[4-(ethoxymethyl)piperidin-4-yl]methanol
CID 103984986
3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
CID 176939346
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 176661044
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
[1-[[1-(phosphanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
CID 172627736
ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
CID 176926450
[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methanol
CID 146250684
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 65013619
3-(ethoxymethyl)-3-fluorocyclobutan-1-amine
CID 112564075

Frequently Asked Questions

What is the IUPAC name of [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol?
The IUPAC name of [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol (CID 177010209) is [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol.
What is the SMILES notation for [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol?
The canonical SMILES for [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol is CCOCC1(CN2CCC3(C[C@H]2CO)CC3(F)F)CC1.
What is the InChIKey of [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol?
The InChIKey is QWYHGUSRDFDHSI-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H25F2NO2/c1-2-20-11-13(3-4-13)10-18-6-5-14(7-12(18)8-19)9-15(14,16)17/h12,19H,2-11H2,1H3/t12-,14?/m0/s1.
What are the key properties of [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol?
[(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol has a molecular weight of 289.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octan-5-yl]methanol is sourced from PubChem (CID 177010209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).