bis(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

C44H45F41O6 — CID 162039751

IUPACbis(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
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.COCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H19F19O2.2C12H13F11O2/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;2*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;2*4-5H2,1-3H3
InChIKeyYXCPXWMWIKACLJ-UHFFFAOYSA-N
MW1448.76 g/mol
LogP19.37
Rot. Bonds21

About bis(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

bis(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 162039751) has the molecular formula C44H45F41O6 and a molecular weight of 1448.76 g/mol. Its IUPAC name is bis(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 Namebis(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 CID162039751
Molecular FormulaC44H45F41O6
Molecular Weight1448.76 g/mol
Exact Mass1448.26
IUPAC Namebis(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
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.COCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H19F19O2.2C12H13F11O2/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;2*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;2*4-5H2,1-3H3
InChIKeyYXCPXWMWIKACLJ-UHFFFAOYSA-N
XLogP19.37
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.76
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(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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Frequently Asked Questions

What is the IUPAC name of bis(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 bis(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 162039751) is bis(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 bis(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 bis(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.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 bis(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 YXCPXWMWIKACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F19O2.2C12H13F11O2/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;2*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;2*4-5H2,1-3H3.
What are the key properties of bis(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?
bis(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 1448.76 g/mol, XLogP of 19.37, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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 162039751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).