[3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone

C12H17F2NO3 — CID 154801197

IUPAC[3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone
SMILESO=C(C1CC12CCOCC2)N1CC(OC(F)F)C1
InChIInChI=1S/C12H17F2NO3/c13-11(14)18-8-6-15(7-8)10(16)9-5-12(9)1-3-17-4-2-12/h8-9,11H,1-7H2
InChIKeyARSGSEWISMNHCW-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.25
Rot. Bonds3

About [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone

[3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone (PubChem CID 154801197) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone
PubChem CID154801197
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name[3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone
SMILESO=C(C1CC12CCOCC2)N1CC(OC(F)F)C1
InChIInChI=1S/C12H17F2NO3/c13-11(14)18-8-6-15(7-8)10(16)9-5-12(9)1-3-17-4-2-12/h8-9,11H,1-7H2
InChIKeyARSGSEWISMNHCW-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(difluoromethoxy)azetidine-1-carbonyl]oxane-4-carbonitrile
CID 154735285
1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 154805354
[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone
CID 167764957
5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 154807639
6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103533074
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone
CID 67130700
6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673
[4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone
CID 129007738
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-6-oxaspiro[2.5]octan-2-yl]methanone
CID 97220931
1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
CID 127875131
1-[(3R)-3-(difluoromethoxy)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406902

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone?
The IUPAC name of [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone (CID 154801197) is [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone?
The canonical SMILES for [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone is O=C(C1CC12CCOCC2)N1CC(OC(F)F)C1.
What is the InChIKey of [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone?
The InChIKey is ARSGSEWISMNHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-11(14)18-8-6-15(7-8)10(16)9-5-12(9)1-3-17-4-2-12/h8-9,11H,1-7H2.
What are the key properties of [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone?
[3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone has a molecular weight of 261.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone is sourced from PubChem (CID 154801197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).