6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane

C8H12F3NO — CID 77169659

IUPAC6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)COCC1C2CNCC21
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-13-3-7-5-1-12-2-6(5)7/h5-7,12H,1-4H2
InChIKeyUWHBUQWNTNKQGS-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.03
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane

6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 77169659) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID77169659
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)COCC1C2CNCC21
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-13-3-7-5-1-12-2-6(5)7/h5-7,12H,1-4H2
InChIKeyUWHBUQWNTNKQGS-UHFFFAOYSA-N
XLogP1.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (CID 77169659) is 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is FC(F)(F)COCC1C2CNCC21.
What is the InChIKey of 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is UWHBUQWNTNKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)4-13-3-7-5-1-12-2-6(5)7/h5-7,12H,1-4H2.
What are the key properties of 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 195.18 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 77169659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).