1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene

C20H19F19O2 — CID 118198835

IUPAC1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene
SMILESCC(OCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C20H19F19O2/c1-8(9(12(2,21)17(28,29)30)13(3,22)18(31,32)33)40-6-7-41-11(16(25,26)27)10(14(4,23)19(34,35)36)15(5,24)20(37,38)39/h6-7H2,1-5H3
InChIKeyPNIBCROJDFLUPD-UHFFFAOYSA-N
MW652.33 g/mol
LogP9.27
Rot. Bonds9

About 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene

1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene (PubChem CID 118198835) has the molecular formula C20H19F19O2 and a molecular weight of 652.33 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene
PubChem CID118198835
Molecular FormulaC20H19F19O2
Molecular Weight652.33 g/mol
Exact Mass652.11
IUPAC Name1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene
SMILESCC(OCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C20H19F19O2/c1-8(9(12(2,21)17(28,29)30)13(3,22)18(31,32)33)40-6-7-41-11(16(25,26)27)10(14(4,23)19(34,35)36)15(5,24)20(37,38)39/h6-7H2,1-5H3
InChIKeyPNIBCROJDFLUPD-UHFFFAOYSA-N
XLogP9.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.33
LogP ≤ 59.27
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-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)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-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene (CID 118198835) is 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene is CC(OCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?
The InChIKey is PNIBCROJDFLUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F19O2/c1-8(9(12(2,21)17(28,29)30)13(3,22)18(31,32)33)40-6-7-41-11(16(25,26)27)10(14(4,23)19(34,35)36)15(5,24)20(37,38)39/h6-7H2,1-5H3.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?
1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene has a molecular weight of 652.33 g/mol, XLogP of 9.27, 9 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-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene is sourced from PubChem (CID 118198835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).