1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene

C16H10F20O2 — CID 59669335

IUPAC1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene
SMILESCC(C)=C(OCCOC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H10F20O2/c1-5(2)7(11(19,20)21)37-3-4-38-8(12(22,23)24)6(9(17,13(25,26)27)14(28,29)30)10(18,15(31,32)33)16(34,35)36/h3-4H2,1-2H3
InChIKeyFFQVQZLUECFUMH-UHFFFAOYSA-N
MW614.21 g/mol
LogP8.36
Rot. Bonds7

About 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene

1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene (PubChem CID 59669335) has the molecular formula C16H10F20O2 and a molecular weight of 614.21 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene
PubChem CID59669335
Molecular FormulaC16H10F20O2
Molecular Weight614.21 g/mol
Exact Mass614.04
IUPAC Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene
SMILESCC(C)=C(OCCOC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H10F20O2/c1-5(2)7(11(19,20)21)37-3-4-38-8(12(22,23)24)6(9(17,13(25,26)27)14(28,29)30)10(18,15(31,32)33)16(34,35)36/h3-4H2,1-2H3
InChIKeyFFQVQZLUECFUMH-UHFFFAOYSA-N
XLogP8.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.21
LogP ≤ 58.36
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'}

Analyze 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene (CID 59669335) is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene is CC(C)=C(OCCOC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene?
The InChIKey is FFQVQZLUECFUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F20O2/c1-5(2)7(11(19,20)21)37-3-4-38-8(12(22,23)24)6(9(17,13(25,26)27)14(28,29)30)10(18,15(31,32)33)16(34,35)36/h3-4H2,1-2H3.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene?
1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene has a molecular weight of 614.21 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)-2-[2-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxyethoxy]pent-2-ene is sourced from PubChem (CID 59669335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).