2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane

C8H8F10O2 — CID 89254567

IUPAC2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane
SMILESCC(F)(F)C(F)(OC(F)(F)F)C(F)(F)C(C)(F)OCF
InChIInChI=1S/C8H8F10O2/c1-4(10,11)7(15,20-8(16,17)18)6(13,14)5(2,12)19-3-9/h3H2,1-2H3
InChIKeyHIQUCZYZQULVMN-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.11
Rot. Bonds6

About 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane

2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane (PubChem CID 89254567) has the molecular formula C8H8F10O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane
PubChem CID89254567
Molecular FormulaC8H8F10O2
Molecular Weight326.13 g/mol
Exact Mass326.04
IUPAC Name2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane
SMILESCC(F)(F)C(F)(OC(F)(F)F)C(F)(F)C(C)(F)OCF
InChIInChI=1S/C8H8F10O2/c1-4(10,11)7(15,20-8(16,17)18)6(13,14)5(2,12)19-3-9/h3H2,1-2H3
InChIKeyHIQUCZYZQULVMN-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,5,5-Octafluoro-1,6-dimethoxyhexane
CID 15219188
1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane
CID 19761955
1,1,1,4,5,5-Hexafluoro-4-(fluoromethoxy)hexane
CID 59203903
1,1,1,2,3,3-Hexafluoro-2-(1,1,1,2,3,3-hexafluorohexan-2-yloxy)hexane
CID 88176398
2,3,3,4,5,5-Hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)hexane
CID 88553226
1,1,1,2-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane
CID 89181058
2,2,3,3,4,5,5-Heptafluoro-4-(fluoromethoxy)hexane
CID 89545801
1,1,2,2,3,3-Hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane
CID 91429246
1,1,1,2-Tetrafluoro-2-(1,1,2,2,3,3-hexafluorobutoxy)hexane
CID 117878735
1,1,1,2,3,3-Hexafluoro-2-(fluoromethoxy)hexane
CID 132179855
2,2,3,3,4,5,5-Heptafluoro-4-methoxyhexane
CID 137487558
2,2,3,3,4,4,5-Heptafluoro-5-methoxyhexane
CID 146607260

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane?
The IUPAC name of 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane (CID 89254567) is 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane.
What is the SMILES notation for 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane?
The canonical SMILES for 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane is CC(F)(F)C(F)(OC(F)(F)F)C(F)(F)C(C)(F)OCF.
What is the InChIKey of 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane?
The InChIKey is HIQUCZYZQULVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O2/c1-4(10,11)7(15,20-8(16,17)18)6(13,14)5(2,12)19-3-9/h3H2,1-2H3.
What are the key properties of 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane?
2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane has a molecular weight of 326.13 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5-hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane is sourced from PubChem (CID 89254567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).