2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene

C12H18F6O2 — CID 141403805

IUPAC2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene
SMILESCCCCCC(OCC(F)(F)F)=C(C)OCC(F)(F)F
InChIInChI=1S/C12H18F6O2/c1-3-4-5-6-10(20-8-12(16,17)18)9(2)19-7-11(13,14)15/h3-8H2,1-2H3
InChIKeyCSWOJJJUFOFMTJ-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.96
Rot. Bonds8

About 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene

2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene (PubChem CID 141403805) has the molecular formula C12H18F6O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene.

Molecular Properties

Compound Name2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene
PubChem CID141403805
Molecular FormulaC12H18F6O2
Molecular Weight308.26 g/mol
Exact Mass308.12
IUPAC Name2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene
SMILESCCCCCC(OCC(F)(F)F)=C(C)OCC(F)(F)F
InChIInChI=1S/C12H18F6O2/c1-3-4-5-6-10(20-8-12(16,17)18)9(2)19-7-11(13,14)15/h3-8H2,1-2H3
InChIKeyCSWOJJJUFOFMTJ-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cyclohexene, 1-(2,2,2-trifluoroethoxy)nonafluoro-
CID 75376
1-Ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohex-1-ene
CID 75258
1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
(Z)-4-ethoxy-3,5-difluorooct-3-ene
CID 134449662
(Z)-4,6-difluoro-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxyoct-3-ene
CID 137517288
5,6-Bis(2,2,2-trifluoroethoxy)pentadec-5-ene
CID 141403784
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene
CID 155670464
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexene
CID 155670465
1,3,3,4,4,5,5-Heptafluoro-2-hexoxycyclopentene
CID 158958315
3,3,4,4,5,5-Hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
CID 176591312
3,3,4,4,5,5-Hexafluoro-1-(4-methoxybutoxy)-2-methylcyclopentene
CID 176591313
3,3,4,4,5,5-Hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
CID 176591333

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene?
The IUPAC name of 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene (CID 141403805) is 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene.
What is the SMILES notation for 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene?
The canonical SMILES for 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene is CCCCCC(OCC(F)(F)F)=C(C)OCC(F)(F)F.
What is the InChIKey of 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene?
The InChIKey is CSWOJJJUFOFMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O2/c1-3-4-5-6-10(20-8-12(16,17)18)9(2)19-7-11(13,14)15/h3-8H2,1-2H3.
What are the key properties of 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene?
2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene has a molecular weight of 308.26 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,2,2-trifluoroethoxy)oct-2-ene is sourced from PubChem (CID 141403805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).