(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

C13H14F3N — CID 143783814

IUPAC(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
SMILESC[C@]12CNCC1(c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C13H14F3N/c1-11-6-12(11,8-17-7-11)9-2-4-10(5-3-9)13(14,15)16/h2-5,17H,6-8H2,1H3/t11-,12?/m0/s1
InChIKeyYYMGTHCCSSYQLC-PXYINDEMSA-N
MW241.26 g/mol
LogP2.96
Rot. Bonds1

About (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 143783814) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
PubChem CID143783814
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
SMILESC[C@]12CNCC1(c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C13H14F3N/c1-11-6-12(11,8-17-7-11)9-2-4-10(5-3-9)13(14,15)16/h2-5,17H,6-8H2,1H3/t11-,12?/m0/s1
InChIKeyYYMGTHCCSSYQLC-PXYINDEMSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-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)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (CID 143783814) is (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane is C[C@]12CNCC1(c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is YYMGTHCCSSYQLC-PXYINDEMSA-N. The full InChI is InChI=1S/C13H14F3N/c1-11-6-12(11,8-17-7-11)9-2-4-10(5-3-9)13(14,15)16/h2-5,17H,6-8H2,1H3/t11-,12?/m0/s1.
What are the key properties of (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane?
(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 241.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143783814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).