4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol

C14H16F3NO — CID 105365916

IUPAC4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(c2ccc(C(F)(F)F)cc2)CCN2CCC1C2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-3-1-10(2-4-11)13(19)6-8-18-7-5-12(13)9-18/h1-4,12,19H,5-9H2
InChIKeyAGLUQMOOWLLZJJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.62
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365916) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365916
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(c2ccc(C(F)(F)F)cc2)CCN2CCC1C2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-3-1-10(2-4-11)13(19)6-8-18-7-5-12(13)9-18/h1-4,12,19H,5-9H2
InChIKeyAGLUQMOOWLLZJJ-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol 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

2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 132528343
(3S,4S)-3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]thian-4-ol
CID 827345
4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365814
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 10661725
4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105366105
cis-(1R,3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 99996074
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117016861
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
CID 69409357
4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365969
N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364574

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105365916) is 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol is OC1(c2ccc(C(F)(F)F)cc2)CCN2CCC1C2.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is AGLUQMOOWLLZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)11-3-1-10(2-4-11)13(19)6-8-18-7-5-12(13)9-18/h1-4,12,19H,5-9H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 271.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).