(5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane

C8H14FNO — CID 170617222

IUPAC(5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane
SMILESCC(F)OC1CC2C[C@@H](C1)N2
InChIInChI=1S/C8H14FNO/c1-5(9)11-8-3-6-2-7(4-8)10-6/h5-8,10H,2-4H2,1H3/t5?,6-,7?,8?/m0/s1
InChIKeyQPMNPIHUHWXVOY-GGRBJAFOSA-N
MW159.20 g/mol
LogP1.21
Rot. Bonds2

About (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane

(5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane (PubChem CID 170617222) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane
PubChem CID170617222
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane
SMILESCC(F)OC1CC2C[C@@H](C1)N2
InChIInChI=1S/C8H14FNO/c1-5(9)11-8-3-6-2-7(4-8)10-6/h5-8,10H,2-4H2,1H3/t5?,6-,7?,8?/m0/s1
InChIKeyQPMNPIHUHWXVOY-GGRBJAFOSA-N
XLogP1.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane?
The IUPAC name of (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane (CID 170617222) is (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane is CC(F)OC1CC2C[C@@H](C1)N2.
What is the InChIKey of (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane?
The InChIKey is QPMNPIHUHWXVOY-GGRBJAFOSA-N. The full InChI is InChI=1S/C8H14FNO/c1-5(9)11-8-3-6-2-7(4-8)10-6/h5-8,10H,2-4H2,1H3/t5?,6-,7?,8?/m0/s1.
What are the key properties of (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane?
(5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane has a molecular weight of 159.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(1-fluoroethoxy)-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 170617222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).