3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene

C11H13Cl3 — CID 69278155

IUPAC3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClC(Cl)(Cl)C1CCC2C3C=CC(C3)C21
InChIInChI=1S/C11H13Cl3/c12-11(13,14)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-10H,3-5H2
InChIKeyDBQIVJZFRSYRJY-UHFFFAOYSA-N
MW251.58 g/mol
LogP4.20
Rot. Bonds

About 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene

3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 69278155) has the molecular formula C11H13Cl3 and a molecular weight of 251.58 g/mol. Its IUPAC name is 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
PubChem CID69278155
Molecular FormulaC11H13Cl3
Molecular Weight251.58 g/mol
Exact Mass250.01
IUPAC Name3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESClC(Cl)(Cl)C1CCC2C3C=CC(C3)C21
InChIInChI=1S/C11H13Cl3/c12-11(13,14)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-10H,3-5H2
InChIKeyDBQIVJZFRSYRJY-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene (CID 69278155) is 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is ClC(Cl)(Cl)C1CCC2C3C=CC(C3)C21.
What is the InChIKey of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is DBQIVJZFRSYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3/c12-11(13,14)9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-10H,3-5H2.
What are the key properties of 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene?
3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 251.58 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 69278155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).