(1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid

C8H12F3NO2 — CID 53259501

IUPAC(1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid
SMILESC[C@@]12C[C@@H]1CCN2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N.C2HF3O2/c1-6-4-5(6)2-3-7-6;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-,6+;/m0./s1
InChIKeyUJLHVSBZWPVARD-RIHPBJNCSA-N
MW211.18 g/mol
LogP1.39
Rot. Bonds

About (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid

(1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid (PubChem CID 53259501) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid
PubChem CID53259501
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name(1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid
SMILESC[C@@]12C[C@@H]1CCN2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N.C2HF3O2/c1-6-4-5(6)2-3-7-6;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-,6+;/m0./s1
InChIKeyUJLHVSBZWPVARD-RIHPBJNCSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid 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

3-(Cyclopropylmethyl)pyrrolidine, trifluoroacetic acid
CID 167737987
3-Azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid
CID 68801954
2-Piperidin-4-ylpropan-2-amine;2,2,2-trifluoroacetic acid
CID 69796797
4-Azaspiro[2.4]heptane trifluoroacetate
CID 86723566
3-[Cyclopropyl(difluoro)methyl]pyrrolidine;2,2,2-trifluoroacetic acid
CID 169758067
3-Azabicyclo[3.1.0]hexane-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 174672560
3-Methyl-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid
CID 175900989
1-Ethyl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 176358533

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid?
The IUPAC name of (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid (CID 53259501) is (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid is C[C@@]12C[C@@H]1CCN2.O=C(O)C(F)(F)F.
What is the InChIKey of (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid?
The InChIKey is UJLHVSBZWPVARD-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H11N.C2HF3O2/c1-6-4-5(6)2-3-7-6;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-,6+;/m0./s1.
What are the key properties of (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid?
(1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid has a molecular weight of 211.18 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-methyl-2-azabicyclo[3.1.0]hexane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53259501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).