3-(2,2,2-trifluoroethoxy)hexane

C8H15F3O — CID 15806351

IUPAC3-(2,2,2-trifluoroethoxy)hexane
SMILESCCCC(CC)OCC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-5-7(4-2)12-6-8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyBGBCZUYHPDGIIS-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.14
Rot. Bonds5

About 3-(2,2,2-trifluoroethoxy)hexane

3-(2,2,2-trifluoroethoxy)hexane (PubChem CID 15806351) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)hexane.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)hexane
PubChem CID15806351
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name3-(2,2,2-trifluoroethoxy)hexane
SMILESCCCC(CC)OCC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-5-7(4-2)12-6-8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyBGBCZUYHPDGIIS-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
Bis(1-(perfluorobutyl)ethyl) ether
CID 21954135
2-(2,2,2-Trifluoroethoxy)hexane
CID 15806352
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-[(propan-2-yl)oxy]hexane
CID 3015907
4-Ethoxy-1,1,1,2,3,3-hexafluoropentane
CID 13271509
1,1,1,2,3,3-Hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
CID 13271511
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yloxy)pentane
CID 18760919
1,1,1,2,2,3,3,4-Octafluoro-4-(3,4,4,5,5,6,6,6-octafluorohexan-3-yloxy)hexane
CID 18934302
1,1,1,2,2,3,3-Heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane
CID 18952775
2-(3,3,3-Trifluoropropoxy)hexane
CID 20614890
4-(1,1-Difluoropropoxy)octane
CID 20614894
1-(3,3,3-Trifluoropropoxy)pentane
CID 20691907

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)hexane?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)hexane (CID 15806351) is 3-(2,2,2-trifluoroethoxy)hexane.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)hexane?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)hexane is CCCC(CC)OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)hexane?
The InChIKey is BGBCZUYHPDGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-3-5-7(4-2)12-6-8(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 3-(2,2,2-trifluoroethoxy)hexane?
3-(2,2,2-trifluoroethoxy)hexane has a molecular weight of 184.20 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)hexane is sourced from PubChem (CID 15806351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).