2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane

C11H11F3N2 — CID 70302468

IUPAC2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane
SMILESFC(F)(F)c1cccc(N2CC3NCC32)c1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)7-2-1-3-8(4-7)16-6-9-10(16)5-15-9/h1-4,9-10,15H,5-6H2
InChIKeyLYAFXCQMUCHDJN-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.87
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane

2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane (PubChem CID 70302468) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane
PubChem CID70302468
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane
SMILESFC(F)(F)c1cccc(N2CC3NCC32)c1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)7-2-1-3-8(4-7)16-6-9-10(16)5-15-9/h1-4,9-10,15H,5-6H2
InChIKeyLYAFXCQMUCHDJN-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(trifluoromethyl)phenyl]-2,4,8-triazatricyclo[5.2.1.02,6]decane
CID 91467663
5-ethyl-2-methyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930789
1-[3-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 73162401
2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930985
2-[3-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
CID 22337678
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 3072417
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one
CID 79396754

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane (CID 70302468) is 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane is FC(F)(F)c1cccc(N2CC3NCC32)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane?
The InChIKey is LYAFXCQMUCHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c12-11(13,14)7-2-1-3-8(4-7)16-6-9-10(16)5-15-9/h1-4,9-10,15H,5-6H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane?
2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane has a molecular weight of 228.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.0]hexane is sourced from PubChem (CID 70302468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).