2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane

C8H5F11O — CID 22993253

IUPAC2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
SMILESFC1OC(C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F
InChIInChI=1S/C8H5F11O/c9-1-2(10)4(20-5(12)3(1)11)6(13,14)7(15,16)8(17,18)19/h1-5H
InChIKeyMRVJYSBYIBTWPU-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.53
Rot. Bonds2

About 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane

2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane (PubChem CID 22993253) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
PubChem CID22993253
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
SMILESFC1OC(C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F
InChIInChI=1S/C8H5F11O/c9-1-2(10)4(20-5(12)3(1)11)6(13,14)7(15,16)8(17,18)19/h1-5H
InChIKeyMRVJYSBYIBTWPU-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.53
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 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane (CID 22993253) is 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane is FC1OC(C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
The InChIKey is MRVJYSBYIBTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c9-1-2(10)4(20-5(12)3(1)11)6(13,14)7(15,16)8(17,18)19/h1-5H.
What are the key properties of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane has a molecular weight of 326.11 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane is sourced from PubChem (CID 22993253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).