8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C14H16F3NO — CID 171962490

IUPAC8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1cc(F)cc(F)c1F)C2
InChIInChI=1S/C14H16F3NO/c1-18-9-2-3-10(18)7-14(19,6-9)11-4-8(15)5-12(16)13(11)17/h4-5,9-10,19H,2-3,6-7H2,1H3
InChIKeyXUEAYFROZDLGKG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.55
Rot. Bonds1

About 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171962490) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171962490
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1cc(F)cc(F)c1F)C2
InChIInChI=1S/C14H16F3NO/c1-18-9-2-3-10(18)7-14(19,6-9)11-4-8(15)5-12(16)13(11)17/h4-5,9-10,19H,2-3,6-7H2,1H3
InChIKeyXUEAYFROZDLGKG-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 8-methyl-3-(2,3,5-trifluorophenyl)-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

Related Compounds

8-methyl-3-(2,4,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962515
8,8-dioxo-3-(2,3,5-trifluorophenyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171962498
3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963783
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959192
8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171964645
3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171954908
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171962490) is 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(c1cc(F)cc(F)c1F)C2.
What is the InChIKey of 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XUEAYFROZDLGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-18-9-2-3-10(18)7-14(19,6-9)11-4-8(15)5-12(16)13(11)17/h4-5,9-10,19H,2-3,6-7H2,1H3.
What are the key properties of 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 271.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171962490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).