2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C8H11F2NO2 — CID 103515791

IUPAC2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(C(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C8H11F2NO2/c9-7(10)8(12)11-3-5-1-2-6(4-11)13-5/h5-7H,1-4H2
InChIKeyYWEZZVUMRUJBDP-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.64
Rot. Bonds1

About 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 103515791) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID103515791
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(C(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C8H11F2NO2/c9-7(10)8(12)11-3-5-1-2-6(4-11)13-5/h5-7H,1-4H2
InChIKeyYWEZZVUMRUJBDP-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 103515791) is 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is O=C(C(F)F)N1CC2CCC(C1)O2.
What is the InChIKey of 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is YWEZZVUMRUJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-7(10)8(12)11-3-5-1-2-6(4-11)13-5/h5-7H,1-4H2.
What are the key properties of 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 191.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 103515791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).