1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene

C24H12F34O4 — CID 88856029

IUPAC1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(OCCOCCOCCOC(=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(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H12F34O4/c25-11(17(35,36)37,18(38,39)40)7(12(26,19(41,42)43)20(44,45)46)9(15(29,30)31)61-5-3-59-1-2-60-4-6-62-10(16(32,33)34)8(13(27,21(47,48)49)22(50,51)52)14(28,23(53,54)55)24(56,57)58/h1-6H2
InChIKeyYGHVUQVIMWTRMX-UHFFFAOYSA-N
MW1010.29 g/mol
LogP12.02
Rot. Bonds15

About 1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene

1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene (PubChem CID 88856029) has the molecular formula C24H12F34O4 and a molecular weight of 1010.29 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene
PubChem CID88856029
Molecular FormulaC24H12F34O4
Molecular Weight1010.29 g/mol
Exact Mass1010.02
IUPAC Name1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(OCCOCCOCCOC(=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(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H12F34O4/c25-11(17(35,36)37,18(38,39)40)7(12(26,19(41,42)43)20(44,45)46)9(15(29,30)31)61-5-3-59-1-2-60-4-6-62-10(16(32,33)34)8(13(27,21(47,48)49)22(50,51)52)14(28,23(53,54)55)24(56,57)58/h1-6H2
InChIKeyYGHVUQVIMWTRMX-UHFFFAOYSA-N
XLogP12.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.29
LogP ≤ 512.02
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-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)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-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene (CID 88856029) is 1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene is FC(F)(F)C(OCCOCCOCCOC(=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(C(F)(C(F)(F)F)C(F)(F)F)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-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
The InChIKey is YGHVUQVIMWTRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F34O4/c25-11(17(35,36)37,18(38,39)40)7(12(26,19(41,42)43)20(44,45)46)9(15(29,30)31)61-5-3-59-1-2-60-4-6-62-10(16(32,33)34)8(13(27,21(47,48)49)22(50,51)52)14(28,23(53,54)55)24(56,57)58/h1-6H2.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene?
1,1,1,4,5,5,5-heptafluoro-2-[2-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene has a molecular weight of 1010.29 g/mol, XLogP of 12.02, 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-[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]ethoxy]ethoxy]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 88856029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).