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

C23H13F31O4 — CID 89022270

IUPAC1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene
SMILESFC(/C(=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(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H13F31O4/c24-9(15(28,29)30)7(12(25,18(37,38)39)19(40,41)42)10(16(31,32)33)57-5-3-55-1-2-56-4-6-58-11(17(34,35)36)8(13(26,20(43,44)45)21(46,47)48)14(27,22(49,50)51)23(52,53)54/h9H,1-6H2/b10-7+
InChIKeyXEAJKICOQMBHJH-JXMROGBWSA-N
MW942.29 g/mol
LogP11.08
Rot. Bonds15

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

1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene (PubChem CID 89022270) has the molecular formula C23H13F31O4 and a molecular weight of 942.29 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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene
PubChem CID89022270
Molecular FormulaC23H13F31O4
Molecular Weight942.29 g/mol
Exact Mass942.03
IUPAC Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene
SMILESFC(/C(=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(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H13F31O4/c24-9(15(28,29)30)7(12(25,18(37,38)39)19(40,41)42)10(16(31,32)33)57-5-3-55-1-2-56-4-6-58-11(17(34,35)36)8(13(26,20(43,44)45)21(46,47)48)14(27,22(49,50)51)23(52,53)54/h9H,1-6H2/b10-7+
InChIKeyXEAJKICOQMBHJH-JXMROGBWSA-N
XLogP11.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.29
LogP ≤ 511.08
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-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene (CID 89022270) is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene is FC(/C(=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(F)(F)F)C(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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene?
The InChIKey is XEAJKICOQMBHJH-JXMROGBWSA-N. The full InChI is InChI=1S/C23H13F31O4/c24-9(15(28,29)30)7(12(25,18(37,38)39)19(40,41)42)10(16(31,32)33)57-5-3-55-1-2-56-4-6-58-11(17(34,35)36)8(13(26,20(43,44)45)21(46,47)48)14(27,22(49,50)51)23(52,53)54/h9H,1-6H2/b10-7+.
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)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene?
1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene has a molecular weight of 942.29 g/mol, XLogP of 11.08, 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-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,2,2,2-tetrafluoroethyl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 89022270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).