2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane

C14H17F11O — CID 134881341

IUPAC2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
SMILESCCCCCCC(C)OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H17F11O/c1-3-4-5-6-7-8(2)26-10(11(15,16)14(23,24)25)9(12(17,18)19)13(20,21)22/h8H,3-7H2,1-2H3
InChIKeyVZZQSJBUHDPGKD-UHFFFAOYSA-N
MW410.27 g/mol
LogP6.94
Rot. Bonds8

About 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane

2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane (PubChem CID 134881341) has the molecular formula C14H17F11O and a molecular weight of 410.27 g/mol. Its IUPAC name is 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane.

Molecular Properties

Compound Name2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
PubChem CID134881341
Molecular FormulaC14H17F11O
Molecular Weight410.27 g/mol
Exact Mass410.11
IUPAC Name2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
SMILESCCCCCCC(C)OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H17F11O/c1-3-4-5-6-7-8(2)26-10(11(15,16)14(23,24)25)9(12(17,18)19)13(20,21)22/h8H,3-7H2,1-2H3
InChIKeyVZZQSJBUHDPGKD-UHFFFAOYSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.27
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_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
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
5,6-Bis(2,2,2-trifluoroethoxy)pentadec-5-ene
CID 141403784
1-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
CID 167433160
3-Ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
CID 173333925
3,3,4,4,5,5-Hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene
CID 176591345
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyheptane
CID 15210907
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane
CID 15210908
1-[(E)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-en-2-yl]oxyicosane
CID 54377064

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane?
The IUPAC name of 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane (CID 134881341) is 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane.
What is the SMILES notation for 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane?
The canonical SMILES for 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane is CCCCCCC(C)OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane?
The InChIKey is VZZQSJBUHDPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F11O/c1-3-4-5-6-7-8(2)26-10(11(15,16)14(23,24)25)9(12(17,18)19)13(20,21)22/h8H,3-7H2,1-2H3.
What are the key properties of 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane?
2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane has a molecular weight of 410.27 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane is sourced from PubChem (CID 134881341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).