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

C10H6F10O — CID 548665

IUPAC5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)OC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H6F10O/c11-6(12)4-1-2-5(3-4)7(6,13)21-10(19,20)8(14,15)9(16,17)18/h1-2,4-5H,3H2
InChIKeyJZEKVGIWHZEUSP-UHFFFAOYSA-N
MW332.14 g/mol
LogP4.30
Rot. Bonds3

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

5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 548665) has the molecular formula C10H6F10O and a molecular weight of 332.14 g/mol. Its IUPAC name is 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID548665
Molecular FormulaC10H6F10O
Molecular Weight332.14 g/mol
Exact Mass332.03
IUPAC Name5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)OC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H6F10O/c11-6(12)4-1-2-5(3-4)7(6,13)21-10(19,20)8(14,15)9(16,17)18/h1-2,4-5H,3H2
InChIKeyJZEKVGIWHZEUSP-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 54.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene (CID 548665) is 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C(F)(F)C(F)(F)OC1(F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is JZEKVGIWHZEUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F10O/c11-6(12)4-1-2-5(3-4)7(6,13)21-10(19,20)8(14,15)9(16,17)18/h1-2,4-5H,3H2.
What are the key properties of 5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene?
5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 332.14 g/mol, XLogP of 4.30, 3 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-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 548665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).