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

C8H12F3NO — CID 66803307

IUPAC(1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)COCC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-13-3-7-5-1-12-2-6(5)7/h5-7,12H,1-4H2/t5-,6+,7?
InChIKeyUWHBUQWNTNKQGS-MEKDEQNOSA-N
MW195.18 g/mol
LogP1.03
Rot. Bonds3

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

(1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 66803307) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID66803307
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)COCC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-13-3-7-5-1-12-2-6(5)7/h5-7,12H,1-4H2/t5-,6+,7?
InChIKeyUWHBUQWNTNKQGS-MEKDEQNOSA-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 (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (CID 66803307) is (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is FC(F)(F)COCC1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is UWHBUQWNTNKQGS-MEKDEQNOSA-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/t5-,6+,7?.
What are the key properties of (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-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 (1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 66803307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).