2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane

C6HF11O — CID 88794808

IUPAC2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane
SMILESFC1OC(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF11O/c7-1-2(8,9)4(11,12)3(10,5(13,14)15)6(16,17)18-1/h1H
InChIKeyJVKIWBHFMPPVMG-UHFFFAOYSA-N
MW298.05 g/mol
LogP3.45
Rot. Bonds

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

2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane (PubChem CID 88794808) has the molecular formula C6HF11O and a molecular weight of 298.05 g/mol. Its IUPAC name is 2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane
PubChem CID88794808
Molecular FormulaC6HF11O
Molecular Weight298.05 g/mol
Exact Mass297.99
IUPAC Name2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane
SMILESFC1OC(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF11O/c7-1-2(8,9)4(11,12)3(10,5(13,14)15)6(16,17)18-1/h1H
InChIKeyJVKIWBHFMPPVMG-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.05
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
2,2,3,3,4,4,5,5,6-Nonafluorooxane
CID 21954167
2,2,3,3,4,4,5,5-Octafluorooxane
CID 22660393
2,2,4,5,5-Pentafluoro-4-(fluoromethyl)oxane
CID 53839736
2,2,3,3,5-Pentafluoro-4-(fluoromethyl)oxane
CID 58957487
2,2,3,3-Tetrafluorooxane
CID 58957492
(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane
CID 73057716
2,2,3,4,4,5,5,6-Octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane
CID 88795069
3-(Trifluoromethyl)oxane
CID 89156390
(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89214814
3-(Difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
CID 89360189

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane?
The IUPAC name of 2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane (CID 88794808) is 2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane.
What is the SMILES notation for 2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane?
The canonical SMILES for 2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane is FC1OC(F)(F)C(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-(trifluoromethyl)oxane?
The InChIKey is JVKIWBHFMPPVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O/c7-1-2(8,9)4(11,12)3(10,5(13,14)15)6(16,17)18-1/h1H.
What are the key properties of 2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane?
2,2,3,4,4,5,5,6-octafluoro-3-(trifluoromethyl)oxane has a molecular weight of 298.05 g/mol, XLogP of 3.45, 0 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-(trifluoromethyl)oxane is sourced from PubChem (CID 88794808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).