5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene

C12H12F8O2 — CID 87729953

IUPAC5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESFC(OC(F)(F)C(F)(F)F)C(F)(F)OCC1CC2C=CC1C2
InChIInChI=1S/C12H12F8O2/c13-9(22-12(19,20)11(16,17)18)10(14,15)21-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyBBMITIRDMXEVDO-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.28
Rot. Bonds6

About 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene

5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 87729953) has the molecular formula C12H12F8O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
PubChem CID87729953
Molecular FormulaC12H12F8O2
Molecular Weight340.21 g/mol
Exact Mass340.07
IUPAC Name5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESFC(OC(F)(F)C(F)(F)F)C(F)(F)OCC1CC2C=CC1C2
InChIInChI=1S/C12H12F8O2/c13-9(22-12(19,20)11(16,17)18)10(14,15)21-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyBBMITIRDMXEVDO-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-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 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene (CID 87729953) is 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene is FC(OC(F)(F)C(F)(F)F)C(F)(F)OCC1CC2C=CC1C2.
What is the InChIKey of 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is BBMITIRDMXEVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F8O2/c13-9(22-12(19,20)11(16,17)18)10(14,15)21-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2.
What are the key properties of 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene?
5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 340.21 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 87729953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).