2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C9H11F4NO2 — CID 103734136

IUPAC2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESO=C(N1CC2CCC(C1)O2)C(F)(F)C(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(11)9(12,13)8(15)14-3-5-1-2-6(4-14)16-5/h5-7H,1-4H2
InChIKeyZCEYWBGGWFLNTP-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.28
Rot. Bonds2

About 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 103734136) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID103734136
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESO=C(N1CC2CCC(C1)O2)C(F)(F)C(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(11)9(12,13)8(15)14-3-5-1-2-6(4-14)16-5/h5-7H,1-4H2
InChIKeyZCEYWBGGWFLNTP-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 103734136) is 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is O=C(N1CC2CCC(C1)O2)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is ZCEYWBGGWFLNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2/c10-7(11)9(12,13)8(15)14-3-5-1-2-6(4-14)16-5/h5-7H,1-4H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 241.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 103734136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).