3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol

C11H12F4O — CID 20734472

IUPAC3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol
SMILESCC1(O)C(F)(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C11H12F4O/c1-9(16)10(12,13)7-5-2-3-6(4-5)8(7)11(9,14)15/h2-3,5-8,16H,4H2,1H3
InChIKeyQUQMLDTYCFVZPN-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.46
Rot. Bonds

About 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol

3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol (PubChem CID 20734472) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol.

Molecular Properties

Compound Name3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol
PubChem CID20734472
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol
SMILESCC1(O)C(F)(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C11H12F4O/c1-9(16)10(12,13)7-5-2-3-6(4-5)8(7)11(9,14)15/h2-3,5-8,16H,4H2,1H3
InChIKeyQUQMLDTYCFVZPN-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-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

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol?
The IUPAC name of 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol (CID 20734472) is 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol.
What is the SMILES notation for 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol?
The canonical SMILES for 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol is CC1(O)C(F)(F)C2C3C=CC(C3)C2C1(F)F.
What is the InChIKey of 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol?
The InChIKey is QUQMLDTYCFVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-9(16)10(12,13)7-5-2-3-6(4-5)8(7)11(9,14)15/h2-3,5-8,16H,4H2,1H3.
What are the key properties of 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol?
3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol has a molecular weight of 236.21 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol is sourced from PubChem (CID 20734472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).