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

C8HF15O — CID 88794832

IUPAC2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
SMILESFC1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF15O/c9-1-2(10,11)4(13,14)3(12,8(22,23)24-1)5(15,16)6(17,18)7(19,20)21/h1H
InChIKeyOGWQLPRZJMZQFF-UHFFFAOYSA-N
MW398.07 g/mol
LogP4.72
Rot. Bonds2

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

2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane (PubChem CID 88794832) has the molecular formula C8HF15O and a molecular weight of 398.07 g/mol. Its IUPAC name is 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane.

Molecular Properties

Compound Name2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
PubChem CID88794832
Molecular FormulaC8HF15O
Molecular Weight398.07 g/mol
Exact Mass397.98
IUPAC Name2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
SMILESFC1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF15O/c9-1-2(10,11)4(13,14)3(12,8(22,23)24-1)5(15,16)6(17,18)7(19,20)21/h1H
InChIKeyOGWQLPRZJMZQFF-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.07
LogP ≤ 54.72
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 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
The IUPAC name of 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane (CID 88794832) is 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane.
What is the SMILES notation for 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
The canonical SMILES for 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane is FC1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
The InChIKey is OGWQLPRZJMZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF15O/c9-1-2(10,11)4(13,14)3(12,8(22,23)24-1)5(15,16)6(17,18)7(19,20)21/h1H.
What are the key properties of 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane?
2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane has a molecular weight of 398.07 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5,5,6-octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane is sourced from PubChem (CID 88794832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).