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

C8H5F11O — CID 54065018

IUPAC2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane
SMILESFC1OC(C(F)(C(F)(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(13,7(14,15)16)8(17,18)19/h1-5H
InChIKeyMCIHULPITNZBGU-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.53
Rot. Bonds1

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

2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane (PubChem CID 54065018) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane
PubChem CID54065018
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane
SMILESFC1OC(C(F)(C(F)(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(13,7(14,15)16)8(17,18)19/h1-5H
InChIKeyMCIHULPITNZBGU-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

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Related Compounds

2-(1,2,2,3,3,4,4,5-Octafluorocyclopentyl)oxane
CID 13451009
2,3,4,5-Tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
CID 19898567
2,3,4,5-Tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane
CID 19898569
2,3,4,5-Tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
CID 22993253
2-[1,1,2,2,3,4,4,4-Octafluoro-3-(trifluoromethyl)butyl]oxane
CID 23443849
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane
CID 87408300
1,1,1,2,3,3,4,4,5,5,6,6,7,7-Tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane
CID 87408697
2,3,3,4,4,5,5,6-Octafluoro-2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]oxane
CID 88033146
2-(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxane
CID 88323365
2,2,3,4,4,5,5,6-Octafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
CID 88794832
1,1,2,2,3,3,4,4,5,6-Decafluoro-5-[[1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-2-yl]oxymethyl]cyclohexane
CID 88878006
6-Ethyl-2,2,3,3-tetrafluoro-4-methyloxane
CID 88908263

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane (CID 54065018) is 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane is FC1OC(C(F)(C(F)(F)F)C(F)(F)F)C(F)C(F)C1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane?
The InChIKey is MCIHULPITNZBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c9-1-2(10)4(20-5(12)3(1)11)6(13,7(14,15)16)8(17,18)19/h1-5H.
What are the key properties of 2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane?
2,3,4,5-tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane has a molecular weight of 326.11 g/mol, XLogP of 3.53, 1 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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane is sourced from PubChem (CID 54065018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).