(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one

C13H20F3NO2 — CID 167481345

IUPAC(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one
SMILESC[C@H](CC(=O)N1CC2C(C1)C2(C)C)OCC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-8(19-7-13(14,15)16)4-11(18)17-5-9-10(6-17)12(9,2)3/h8-10H,4-7H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyUBBUANVZAILTQF-XNWIYYODSA-N
MW279.30 g/mol
LogP2.46
Rot. Bonds4

About (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one

(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one (PubChem CID 167481345) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one.

Molecular Properties

Compound Name(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one
PubChem CID167481345
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one
SMILESC[C@H](CC(=O)N1CC2C(C1)C2(C)C)OCC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-8(19-7-13(14,15)16)4-11(18)17-5-9-10(6-17)12(9,2)3/h8-10H,4-7H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyUBBUANVZAILTQF-XNWIYYODSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one 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 (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one?
The IUPAC name of (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one (CID 167481345) is (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one.
What is the SMILES notation for (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one?
The canonical SMILES for (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one is C[C@H](CC(=O)N1CC2C(C1)C2(C)C)OCC(F)(F)F.
What is the InChIKey of (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one?
The InChIKey is UBBUANVZAILTQF-XNWIYYODSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-8(19-7-13(14,15)16)4-11(18)17-5-9-10(6-17)12(9,2)3/h8-10H,4-7H2,1-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one?
(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one has a molecular weight of 279.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one is sourced from PubChem (CID 167481345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).