6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane

C12H13F3N2O — CID 166104439

IUPAC6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)c1cccnc1OCC1C2CNCC21
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-2-1-3-17-11(10)18-6-9-7-4-16-5-8(7)9/h1-3,7-9,16H,4-6H2
InChIKeyFBTLDOJRHSQCMZ-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.94
Rot. Bonds3

About 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane

6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 166104439) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID166104439
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)c1cccnc1OCC1C2CNCC21
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-2-1-3-17-11(10)18-6-9-7-4-16-5-8(7)9/h1-3,7-9,16H,4-6H2
InChIKeyFBTLDOJRHSQCMZ-UHFFFAOYSA-N
XLogP1.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane (CID 166104439) is 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane is FC(F)(F)c1cccnc1OCC1C2CNCC21.
What is the InChIKey of 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is FBTLDOJRHSQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)10-2-1-3-17-11(10)18-6-9-7-4-16-5-8(7)9/h1-3,7-9,16H,4-6H2.
What are the key properties of 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane?
6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 258.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166104439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).