2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane

C8F16O — CID 19026789

IUPAC2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
SMILESFC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O/c9-2(10)3(11,12)8(23,24)25-4(2,13)1(5(14,15)16,6(17,18)19)7(20,21)22
InChIKeyDBJDWFSYQDPLQJ-UHFFFAOYSA-N
MW416.06 g/mol
LogP5.22
Rot. Bonds1

About 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane

2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane (PubChem CID 19026789) has the molecular formula C8F16O and a molecular weight of 416.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
PubChem CID19026789
Molecular FormulaC8F16O
Molecular Weight416.06 g/mol
Exact Mass415.97
IUPAC Name2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
SMILESFC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O/c9-2(10)3(11,12)8(23,24)25-4(2,13)1(5(14,15)16,6(17,18)19)7(20,21)22
InChIKeyDBJDWFSYQDPLQJ-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.06
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane (CID 19026789) is 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane is FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane?
The InChIKey is DBJDWFSYQDPLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16O/c9-2(10)3(11,12)8(23,24)25-4(2,13)1(5(14,15)16,6(17,18)19)7(20,21)22.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane?
2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane has a molecular weight of 416.06 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane is sourced from PubChem (CID 19026789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).