3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H18F3NO — CID 65145739

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(C(F)(F)F)cc2)CC2CCC(C1)N2
InChIInChI=1S/C15H18F3NO/c16-15(17,18)11-3-1-10(2-4-11)7-14(20)8-12-5-6-13(9-14)19-12/h1-4,12-13,19-20H,5-9H2
InChIKeyCLRMPHXNEVDIND-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.89
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65145739) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65145739
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(C(F)(F)F)cc2)CC2CCC(C1)N2
InChIInChI=1S/C15H18F3NO/c16-15(17,18)11-3-1-10(2-4-11)7-14(20)8-12-5-6-13(9-14)19-12/h1-4,12-13,19-20H,5-9H2
InChIKeyCLRMPHXNEVDIND-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-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 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 65145739) is 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(Cc2ccc(C(F)(F)F)cc2)CC2CCC(C1)N2.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CLRMPHXNEVDIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)11-3-1-10(2-4-11)7-14(20)8-12-5-6-13(9-14)19-12/h1-4,12-13,19-20H,5-9H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 285.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65145739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).