1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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

C32H32F30O4 — CID 161195874

IUPAC1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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
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.COCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H19F19O2.C12H13F11O2/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;1-8(13,11(18,19)20)6(9(2,14)12(21,22)23)7(10(15,16)17)25-5-4-24-3/h6-7H2,1-5H3;4-5H2,1-3H3
InChIKeyUUIIKANWHFVDNY-UHFFFAOYSA-N
MW1050.54 g/mol
LogP14.32
Rot. Bonds15

About 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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

1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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 161195874) has the molecular formula C32H32F30O4 and a molecular weight of 1050.54 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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 CID161195874
Molecular FormulaC32H32F30O4
Molecular Weight1050.54 g/mol
Exact Mass1050.18
IUPAC Name1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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
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.COCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H19F19O2.C12H13F11O2/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;1-8(13,11(18,19)20)6(9(2,14)12(21,22)23)7(10(15,16)17)25-5-4-24-3/h6-7H2,1-5H3;4-5H2,1-3H3
InChIKeyUUIIKANWHFVDNY-UHFFFAOYSA-N
XLogP14.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.54
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-(2-methoxyethoxy)-4-methyl-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 with MolForge

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1,1,1,4,5,5,5-Heptafluoro-2-[2-[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]oxyethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene
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1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[(Z)-4,5,5,5-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxyethoxy]-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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 (CID 161195874) is 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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 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.COCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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?
The InChIKey is UUIIKANWHFVDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F19O2.C12H13F11O2/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;1-8(13,11(18,19)20)6(9(2,14)12(21,22)23)7(10(15,16)17)25-5-4-24-3/h6-7H2,1-5H3;4-5H2,1-3H3.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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?
1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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 1050.54 g/mol, XLogP of 14.32, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5,5-heptafluoro-2-(2-methoxyethoxy)-4-methyl-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 is sourced from PubChem (CID 161195874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).