2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C11H20FNO — CID 81114882

IUPAC2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESOC12CCCCC1CN(CCF)CC2
InChIInChI=1S/C11H20FNO/c12-6-8-13-7-5-11(14)4-2-1-3-10(11)9-13/h10,14H,1-9H2
InChIKeyCHFBREJSANJFQN-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.58
Rot. Bonds2

About 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81114882) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81114882
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESOC12CCCCC1CN(CCF)CC2
InChIInChI=1S/C11H20FNO/c12-6-8-13-7-5-11(14)4-2-1-3-10(11)9-13/h10,14H,1-9H2
InChIKeyCHFBREJSANJFQN-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81114882) is 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is OC12CCCCC1CN(CCF)CC2.
What is the InChIKey of 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is CHFBREJSANJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-6-8-13-7-5-11(14)4-2-1-3-10(11)9-13/h10,14H,1-9H2.
What are the key properties of 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 201.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81114882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).