2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane

C8F16O — CID 13271514

IUPAC2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O/c9-1(6(17,18)19,2(10,11)7(20,21)22)5(16)3(12,13)4(14,15)8(23,24)25-5
InChIKeyDQQMZTDKIGCZCY-UHFFFAOYSA-N
MW416.06 g/mol
LogP5.01
Rot. Bonds2

About 2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane

2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane (PubChem CID 13271514) 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-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane
PubChem CID13271514
Molecular FormulaC8F16O
Molecular Weight416.06 g/mol
Exact Mass415.97
IUPAC Name2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O/c9-1(6(17,18)19,2(10,11)7(20,21)22)5(16)3(12,13)4(14,15)8(23,24)25-5
InChIKeyDQQMZTDKIGCZCY-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.06
LogP ≤ 55.01
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-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane (CID 13271514) is 2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane is FC(F)(F)C(F)(F)C(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-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane?
The InChIKey is DQQMZTDKIGCZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16O/c9-1(6(17,18)19,2(10,11)7(20,21)22)5(16)3(12,13)4(14,15)8(23,24)25-5.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane?
2,2,3,3,4,4,5-heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane has a molecular weight of 416.06 g/mol, XLogP of 5.01, 2 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-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane is sourced from PubChem (CID 13271514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).