1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene

C11F22 — CID 22642015

IUPAC1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11F22/c12-4(10(28,29)30,11(31,32)33)1(2(5(13,14)15)6(16,17)18)3(7(19,20)21,8(22,23)24)9(25,26)27
InChIKeyUXYZAKYWBBJVSQ-UHFFFAOYSA-N
MW550.08 g/mol
LogP7.91
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene

1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene (PubChem CID 22642015) has the molecular formula C11F22 and a molecular weight of 550.08 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene
PubChem CID22642015
Molecular FormulaC11F22
Molecular Weight550.08 g/mol
Exact Mass549.96
IUPAC Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11F22/c12-4(10(28,29)30,11(31,32)33)1(2(5(13,14)15)6(16,17)18)3(7(19,20)21,8(22,23)24)9(25,26)27
InChIKeyUXYZAKYWBBJVSQ-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.08
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene (CID 22642015) is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene is FC(F)(F)C(=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene?
The InChIKey is UXYZAKYWBBJVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F22/c12-4(10(28,29)30,11(31,32)33)1(2(5(13,14)15)6(16,17)18)3(7(19,20)21,8(22,23)24)9(25,26)27.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene?
1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene has a molecular weight of 550.08 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4,4-tris(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 22642015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).