5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene

C10H8F8O — CID 22991725

IUPAC5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene
SMILESFCC(F)(F)C(F)(F)OC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H8F8O/c11-4-7(12,13)10(17,18)19-9(16)6-2-1-5(3-6)8(9,14)15/h1-2,5-6H,3-4H2
InChIKeyCVGHWTFPBSSDQL-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.71
Rot. Bonds4

About 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene

5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 22991725) has the molecular formula C10H8F8O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID22991725
Molecular FormulaC10H8F8O
Molecular Weight296.16 g/mol
Exact Mass296.04
IUPAC Name5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene
SMILESFCC(F)(F)C(F)(F)OC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H8F8O/c11-4-7(12,13)10(17,18)19-9(16)6-2-1-5(3-6)8(9,14)15/h1-2,5-6H,3-4H2
InChIKeyCVGHWTFPBSSDQL-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)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 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene (CID 22991725) is 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene is FCC(F)(F)C(F)(F)OC1(F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is CVGHWTFPBSSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8O/c11-4-7(12,13)10(17,18)19-9(16)6-2-1-5(3-6)8(9,14)15/h1-2,5-6H,3-4H2.
What are the key properties of 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 296.16 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trifluoro-6-(1,1,2,2,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22991725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).