4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol

C15H23F3O2 — CID 59000306

IUPAC4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)(CC(C)(O)C(F)(F)F)OCC1CC2C=CC1C2
InChIInChI=1S/C15H23F3O2/c1-13(2,9-14(3,19)15(16,17)18)20-8-12-7-10-4-5-11(12)6-10/h4-5,10-12,19H,6-9H2,1-3H3
InChIKeyZMTXHSHTKHYQQU-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.70
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol

4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol (PubChem CID 59000306) has the molecular formula C15H23F3O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol
PubChem CID59000306
Molecular FormulaC15H23F3O2
Molecular Weight292.34 g/mol
Exact Mass292.17
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)(CC(C)(O)C(F)(F)F)OCC1CC2C=CC1C2
InChIInChI=1S/C15H23F3O2/c1-13(2,9-14(3,19)15(16,17)18)20-8-12-7-10-4-5-11(12)6-10/h4-5,10-12,19H,6-9H2,1-3H3
InChIKeyZMTXHSHTKHYQQU-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-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 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol (CID 59000306) is 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol is CC(C)(CC(C)(O)C(F)(F)F)OCC1CC2C=CC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol?
The InChIKey is ZMTXHSHTKHYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O2/c1-13(2,9-14(3,19)15(16,17)18)20-8-12-7-10-4-5-11(12)6-10/h4-5,10-12,19H,6-9H2,1-3H3.
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol?
4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol has a molecular weight of 292.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoro-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 59000306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).