2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone

C8H10F3NO2 — CID 141418525

IUPAC2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone
SMILESO=C(C(F)(F)F)C12CNCC(C1)OC2
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)6(13)7-1-5(14-4-7)2-12-3-7/h5,12H,1-4H2
InChIKeyHMFUPDNILOSCFI-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.50
Rot. Bonds1

About 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone

2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone (PubChem CID 141418525) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone
PubChem CID141418525
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone
SMILESO=C(C(F)(F)F)C12CNCC(C1)OC2
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)6(13)7-1-5(14-4-7)2-12-3-7/h5,12H,1-4H2
InChIKeyHMFUPDNILOSCFI-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
CID 97305493
6-oxa-3-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 155294366
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822908
3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
CID 170912508
2-methylmorpholine;2,2,2-trifluoroacetic acid
CID 68841730
6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82400684
(3aS,7aS)-N-(2,2,2-trifluoroethyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167785947
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
CID 146273108
N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride
CID 19429317
(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid
CID 68824959

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone (CID 141418525) is 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone is O=C(C(F)(F)F)C12CNCC(C1)OC2.
What is the InChIKey of 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone?
The InChIKey is HMFUPDNILOSCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)6(13)7-1-5(14-4-7)2-12-3-7/h5,12H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone?
2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone has a molecular weight of 209.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone is sourced from PubChem (CID 141418525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).