5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C10H6F10O — CID 143087866

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1C2C=CC(O2)C1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F10O/c11-7(9(15,16)17,10(18,19)20)5-3-1-2-4(21-3)6(5)8(12,13)14/h1-6H
InChIKeyBQKYAZIBMLEPIB-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.95
Rot. Bonds1

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 143087866) has the molecular formula C10H6F10O and a molecular weight of 332.14 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID143087866
Molecular FormulaC10H6F10O
Molecular Weight332.14 g/mol
Exact Mass332.03
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1C2C=CC(O2)C1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F10O/c11-7(9(15,16)17,10(18,19)20)5-3-1-2-4(21-3)6(5)8(12,13)14/h1-6H
InChIKeyBQKYAZIBMLEPIB-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 143087866) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)(F)C1C2C=CC(O2)C1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is BQKYAZIBMLEPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F10O/c11-7(9(15,16)17,10(18,19)20)5-3-1-2-4(21-3)6(5)8(12,13)14/h1-6H.
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 332.14 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 143087866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).