(1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol

C7H10F3NO — CID 98113030

IUPAC(1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
SMILESOC1(C(F)(F)F)[C@@H]2CNC[C@@H]1C2
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)4-1-5(6)3-11-2-4/h4-5,11-12H,1-3H2/t4-,5-/m0/s1
InChIKeyKCXJTFQFEKXYHG-WHFBIAKZSA-N
MW181.16 g/mol
LogP0.52
Rot. Bonds

About (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol

(1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol (PubChem CID 98113030) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol.

Molecular Properties

Compound Name(1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
PubChem CID98113030
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
SMILESOC1(C(F)(F)F)[C@@H]2CNC[C@@H]1C2
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)4-1-5(6)3-11-2-4/h4-5,11-12H,1-3H2/t4-,5-/m0/s1
InChIKeyKCXJTFQFEKXYHG-WHFBIAKZSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol 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 (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
The IUPAC name of (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol (CID 98113030) is (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol.
What is the SMILES notation for (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
The canonical SMILES for (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol is OC1(C(F)(F)F)[C@@H]2CNC[C@@H]1C2.
What is the InChIKey of (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
The InChIKey is KCXJTFQFEKXYHG-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6(12)4-1-5(6)3-11-2-4/h4-5,11-12H,1-3H2/t4-,5-/m0/s1.
What are the key properties of (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
(1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol has a molecular weight of 181.16 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol is sourced from PubChem (CID 98113030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).