4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene

C10H10ClF3O — CID 134856035

IUPAC4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C1(CCl)OC2C3C=CC(C3)C21
InChIInChI=1S/C10H10ClF3O/c11-4-9(10(12,13)14)7-5-1-2-6(3-5)8(7)15-9/h1-2,5-8H,3-4H2
InChIKeyYLQKLLAHOQXLSL-UHFFFAOYSA-N
MW238.64 g/mol
LogP2.75
Rot. Bonds1

About 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene

4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene (PubChem CID 134856035) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
PubChem CID134856035
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C1(CCl)OC2C3C=CC(C3)C21
InChIInChI=1S/C10H10ClF3O/c11-4-9(10(12,13)14)7-5-1-2-6(3-5)8(7)15-9/h1-2,5-8H,3-4H2
InChIKeyYLQKLLAHOQXLSL-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene 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-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene (CID 134856035) is 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene is FC(F)(F)C1(CCl)OC2C3C=CC(C3)C21.
What is the InChIKey of 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is YLQKLLAHOQXLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c11-4-9(10(12,13)14)7-5-1-2-6(3-5)8(7)15-9/h1-2,5-8H,3-4H2.
What are the key properties of 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 238.64 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 134856035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).