2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene

C8F12O4 — CID 88907706

IUPAC2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene
SMILESFC1=C(F)OC2(O1)C(F)(F)OC(F)(C(F)(F)F)OC2(F)C(F)(F)F
InChIInChI=1S/C8F12O4/c9-1-2(10)22-4(21-1)3(11,5(12,13)14)23-8(20,6(15,16)17)24-7(4,18)19
InChIKeySGUPSKJFHAEWSV-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.85
Rot. Bonds

About 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene

2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene (PubChem CID 88907706) has the molecular formula C8F12O4 and a molecular weight of 388.06 g/mol. Its IUPAC name is 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene
PubChem CID88907706
Molecular FormulaC8F12O4
Molecular Weight388.06 g/mol
Exact Mass387.96
IUPAC Name2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene
SMILESFC1=C(F)OC2(O1)C(F)(F)OC(F)(C(F)(F)F)OC2(F)C(F)(F)F
InChIInChI=1S/C8F12O4/c9-1-2(10)22-4(21-1)3(11,5(12,13)14)23-8(20,6(15,16)17)24-7(4,18)19
InChIKeySGUPSKJFHAEWSV-UHFFFAOYSA-N
XLogP3.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-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 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene?
The IUPAC name of 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene (CID 88907706) is 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene.
What is the SMILES notation for 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene?
The canonical SMILES for 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene is FC1=C(F)OC2(O1)C(F)(F)OC(F)(C(F)(F)F)OC2(F)C(F)(F)F.
What is the InChIKey of 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene?
The InChIKey is SGUPSKJFHAEWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12O4/c9-1-2(10)22-4(21-1)3(11,5(12,13)14)23-8(20,6(15,16)17)24-7(4,18)19.
What are the key properties of 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene?
2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene has a molecular weight of 388.06 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene is sourced from PubChem (CID 88907706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).