3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C8H14FNO — CID 130634591

IUPAC3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H14FNO/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-6H2
InChIKeyBSTLDACUTOQCNX-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.82
Rot. Bonds2

About 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 130634591) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID130634591
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFCCN1CC2CCC(C1)O2
InChIInChI=1S/C8H14FNO/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-6H2
InChIKeyBSTLDACUTOQCNX-UHFFFAOYSA-N
XLogP0.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Butyl-8-oxa-6-azabicyclo(3.2.1)octane
CID 97170
1-(2-Tetrahydrofurylmethyl)piperidine
CID 566526
US10214537, Example 164
CID 132220337
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol hydrochloride
CID 137964486
3-(2-Bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane hydrobromide
CID 155819682
2-(8-oxa-3-aZabicyclo[3.2.1]octan-3-yl)ethan-1-ol
CID 66370951
4-Fluoro-2-propan-2-yl-6-oxa-2-azabicyclo[3.2.1]octane
CID 169658960
7-Fluoro-2-propan-2-yl-6-oxa-2-azabicyclo[3.2.1]octane
CID 169658987
3-Fluoro-8-oxa-3-azabicyclo[3.2.1]octane
CID 178126937
Trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide
CID 66369476
3-(2-Bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369579
3-(2-Bromo-3,3,3-trifluoropropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369971

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 130634591) is 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane is FCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is BSTLDACUTOQCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-6H2.
What are the key properties of 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 159.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130634591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).