(5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane

C11H18F3NO — CID 170058706

IUPAC(5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2C(COCC(F)(F)F)[C@H]2C1
InChIInChI=1S/C11H18F3NO/c1-7(2)15-3-8-9(4-15)10(8)5-16-6-11(12,13)14/h7-10H,3-6H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyHTXYTBRBFCYHLQ-IDKOKCKLSA-N
MW237.26 g/mol
LogP2.15
Rot. Bonds4

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

(5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 170058706) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID170058706
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2C(COCC(F)(F)F)[C@H]2C1
InChIInChI=1S/C11H18F3NO/c1-7(2)15-3-8-9(4-15)10(8)5-16-6-11(12,13)14/h7-10H,3-6H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyHTXYTBRBFCYHLQ-IDKOKCKLSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-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 (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (CID 170058706) is (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is CC(C)N1CC2C(COCC(F)(F)F)[C@H]2C1.
What is the InChIKey of (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is HTXYTBRBFCYHLQ-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-7(2)15-3-8-9(4-15)10(8)5-16-6-11(12,13)14/h7-10H,3-6H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
(5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 237.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170058706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).