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

C20H22F16O2 — CID 118198838

IUPAC1,1,1,4,5,5,5-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
SMILESC/C(OCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(\C(C)(C)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C20H22F16O2/c1-9(10(13(2,3)21)14(4,22)18(28,29)30)37-7-8-38-12(17(25,26)27)11(15(5,23)19(31,32)33)16(6,24)20(34,35)36/h7-8H2,1-6H3/b10-9-,12-11?
InChIKeyFHQNEVKZUVHVIC-JMZFJITMSA-N
MW598.36 g/mol
LogP8.73
Rot. Bonds9

About 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

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 (PubChem CID 118198838) has the molecular formula C20H22F16O2 and a molecular weight of 598.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,1,4,5,5,5-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
PubChem CID118198838
Molecular FormulaC20H22F16O2
Molecular Weight598.36 g/mol
Exact Mass598.14
IUPAC Name1,1,1,4,5,5,5-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
SMILESC/C(OCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(\C(C)(C)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C20H22F16O2/c1-9(10(13(2,3)21)14(4,22)18(28,29)30)37-7-8-38-12(17(25,26)27)11(15(5,23)19(31,32)33)16(6,24)20(34,35)36/h7-8H2,1-6H3/b10-9-,12-11?
InChIKeyFHQNEVKZUVHVIC-JMZFJITMSA-N
XLogP8.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.36
LogP ≤ 58.73
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-[(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 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-[(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?
The IUPAC name of 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 (CID 118198838) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(OCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(\C(C)(C)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-[(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?
The InChIKey is FHQNEVKZUVHVIC-JMZFJITMSA-N. The full InChI is InChI=1S/C20H22F16O2/c1-9(10(13(2,3)21)14(4,22)18(28,29)30)37-7-8-38-12(17(25,26)27)11(15(5,23)19(31,32)33)16(6,24)20(34,35)36/h7-8H2,1-6H3/b10-9-,12-11?.
What are the key properties of 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?
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 has a molecular weight of 598.36 g/mol, XLogP of 8.73, 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-[(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 is sourced from PubChem (CID 118198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).