(1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol

C8H14FNO — CID 167773166

IUPAC(1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2C[C@H]1N(CCF)C2
InChIInChI=1S/C8H14FNO/c9-1-2-10-5-6-3-7(10)8(11)4-6/h6-8,11H,1-5H2/t6-,7+,8+/m0/s1
InChIKeyCJJOGDLEIKJHEA-XLPZGREQSA-N
MW159.20 g/mol
LogP0.41
Rot. Bonds2

About (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol

(1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 167773166) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name(1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID167773166
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2C[C@H]1N(CCF)C2
InChIInChI=1S/C8H14FNO/c9-1-2-10-5-6-3-7(10)8(11)4-6/h6-8,11H,1-5H2/t6-,7+,8+/m0/s1
InChIKeyCJJOGDLEIKJHEA-XLPZGREQSA-N
XLogP0.41
TPSA23.47 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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol (CID 167773166) is (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol is O[C@@H]1C[C@@H]2C[C@H]1N(CCF)C2.
What is the InChIKey of (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is CJJOGDLEIKJHEA-XLPZGREQSA-N. The full InChI is InChI=1S/C8H14FNO/c9-1-2-10-5-6-3-7(10)8(11)4-6/h6-8,11H,1-5H2/t6-,7+,8+/m0/s1.
What are the key properties of (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
(1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 159.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 167773166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).