(1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane

C9H15F2NO — CID 129298206

IUPAC(1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESCOCC1[C@H]2CN(CC(F)F)C[C@@H]12
InChIInChI=1S/C9H15F2NO/c1-13-5-8-6-2-12(3-7(6)8)4-9(10)11/h6-9H,2-5H2,1H3/t6-,7+,8?
InChIKeyQITCFENZJNMJLL-DHBOJHSNSA-N
MW191.22 g/mol
LogP1.08
Rot. Bonds4

About (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 129298206) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID129298206
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name(1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESCOCC1[C@H]2CN(CC(F)F)C[C@@H]12
InChIInChI=1S/C9H15F2NO/c1-13-5-8-6-2-12(3-7(6)8)4-9(10)11/h6-9H,2-5H2,1H3/t6-,7+,8?
InChIKeyQITCFENZJNMJLL-DHBOJHSNSA-N
XLogP1.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane 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 (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane (CID 129298206) is (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane is COCC1[C@H]2CN(CC(F)F)C[C@@H]12.
What is the InChIKey of (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is QITCFENZJNMJLL-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-13-5-8-6-2-12(3-7(6)8)4-9(10)11/h6-9H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 191.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(2,2-difluoroethyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129298206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).