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

C9H14F3N — CID 130615188

IUPAC(1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@@H]2C(C(F)(F)F)[C@@H]2C1
InChIInChI=1S/C9H14F3N/c1-5(2)13-3-6-7(4-13)8(6)9(10,11)12/h5-8H,3-4H2,1-2H3/t6-,7+,8?
InChIKeyBKCFOBJBZLWLQZ-DHBOJHSNSA-N
MW193.21 g/mol
LogP2.13
Rot. Bonds1

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

(1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 130615188) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID130615188
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@@H]2C(C(F)(F)F)[C@@H]2C1
InChIInChI=1S/C9H14F3N/c1-5(2)13-3-6-7(4-13)8(6)9(10,11)12/h5-8H,3-4H2,1-2H3/t6-,7+,8?
InChIKeyBKCFOBJBZLWLQZ-DHBOJHSNSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-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 (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 130615188) is (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is CC(C)N1C[C@@H]2C(C(F)(F)F)[C@@H]2C1.
What is the InChIKey of (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is BKCFOBJBZLWLQZ-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H14F3N/c1-5(2)13-3-6-7(4-13)8(6)9(10,11)12/h5-8H,3-4H2,1-2H3/t6-,7+,8?.
What are the key properties of (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
(1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 193.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-propan-2-yl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130615188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).