5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene

C19H32F6O2 — CID 141403784

IUPAC5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene
SMILESCCCCCCCCCC(OCC(F)(F)F)=C(CCCC)OCC(F)(F)F
InChIInChI=1S/C19H32F6O2/c1-3-5-7-8-9-10-11-13-17(27-15-19(23,24)25)16(12-6-4-2)26-14-18(20,21)22/h3-15H2,1-2H3
InChIKeyVOHCIEQDEWELLD-UHFFFAOYSA-N
MW406.45 g/mol
LogP7.69
Rot. Bonds15

About 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene

5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene (PubChem CID 141403784) has the molecular formula C19H32F6O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene.

Molecular Properties

Compound Name5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene
PubChem CID141403784
Molecular FormulaC19H32F6O2
Molecular Weight406.45 g/mol
Exact Mass406.23
IUPAC Name5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene
SMILESCCCCCCCCCC(OCC(F)(F)F)=C(CCCC)OCC(F)(F)F
InChIInChI=1S/C19H32F6O2/c1-3-5-7-8-9-10-11-13-17(27-15-19(23,24)25)16(12-6-4-2)26-14-18(20,21)22/h3-15H2,1-2H3
InChIKeyVOHCIEQDEWELLD-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 57.69
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

1-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
CID 12726234
2-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
CID 134881341
1-[1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyoctadecane
CID 54153874
1-[(E)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-en-2-yl]oxyicosane;1-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-yl]oxyicosane
CID 54377062
1-[1,1,1,2,5,5,6,6,7,7,7-Undecafluoro-2,4-bis(trifluoromethyl)hept-3-en-3-yl]oxyoctadecane
CID 139711765
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
3-Ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
CID 173333925
1,1,1,4-Tetrafluoro-2-(3,3,3-trifluoro-2-pentoxypropoxy)dodec-2-ene
CID 175810657
1-[(E)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-en-2-yl]oxyicosane
CID 54377064
1,2-Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 154171412
4-Ethoxy-3-(4-ethoxydec-3-en-3-yloxy)dec-3-ene
CID 140235983
3-Tetradecoxypentadec-2-en-2-ol
CID 157607837

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
The IUPAC name of 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene (CID 141403784) is 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene.
What is the SMILES notation for 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
The canonical SMILES for 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene is CCCCCCCCCC(OCC(F)(F)F)=C(CCCC)OCC(F)(F)F.
What is the InChIKey of 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
The InChIKey is VOHCIEQDEWELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F6O2/c1-3-5-7-8-9-10-11-13-17(27-15-19(23,24)25)16(12-6-4-2)26-14-18(20,21)22/h3-15H2,1-2H3.
What are the key properties of 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene has a molecular weight of 406.45 g/mol, XLogP of 7.69, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,2,2-trifluoroethoxy)pentadec-5-ene is sourced from PubChem (CID 141403784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).