1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane

C8H8F6O — CID 10823559

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane
SMILESFC(C(F)(F)F)C(F)(F)C12CCCC1O2
InChIInChI=1S/C8H8F6O/c9-5(8(12,13)14)7(10,11)6-3-1-2-4(6)15-6/h4-5H,1-3H2
InChIKeyCCOANSMMSAYWMZ-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.84
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane

1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane (PubChem CID 10823559) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane
PubChem CID10823559
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane
SMILESFC(C(F)(F)F)C(F)(F)C12CCCC1O2
InChIInChI=1S/C8H8F6O/c9-5(8(12,13)14)7(10,11)6-3-1-2-4(6)15-6/h4-5H,1-3H2
InChIKeyCCOANSMMSAYWMZ-UHFFFAOYSA-N
XLogP2.84
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane (CID 10823559) is 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane is FC(C(F)(F)F)C(F)(F)C12CCCC1O2.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane?
The InChIKey is CCOANSMMSAYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c9-5(8(12,13)14)7(10,11)6-3-1-2-4(6)15-6/h4-5H,1-3H2.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane?
1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane has a molecular weight of 234.14 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 10823559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).