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

C11H6F16 — CID 72792185

IUPAC1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(C)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F16/c1-3(7(13,14)15)4(5(2,8(16,17)18)9(19,20)21)6(12,10(22,23)24)11(25,26)27/h1-2H3
InChIKeyIGASNYLLDGOPAB-UHFFFAOYSA-N
MW442.14 g/mol
LogP6.83
Rot. Bonds2

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

1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene (PubChem CID 72792185) has the molecular formula C11H6F16 and a molecular weight of 442.14 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-dimethyl-4-(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-dimethyl-4-(trifluoromethyl)pent-2-ene
PubChem CID72792185
Molecular FormulaC11H6F16
Molecular Weight442.14 g/mol
Exact Mass442.02
IUPAC Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(C)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F16/c1-3(7(13,14)15)4(5(2,8(16,17)18)9(19,20)21)6(12,10(22,23)24)11(25,26)27/h1-2H3
InChIKeyIGASNYLLDGOPAB-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.14
LogP ≤ 56.83
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-dimethyl-4-(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-dimethyl-4-(trifluoromethyl)pent-2-ene (CID 72792185) is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-dimethyl-4-(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-dimethyl-4-(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-dimethyl-4-(trifluoromethyl)pent-2-ene is CC(=C(C(C)(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 1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene?
The InChIKey is IGASNYLLDGOPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16/c1-3(7(13,14)15)4(5(2,8(16,17)18)9(19,20)21)6(12,10(22,23)24)11(25,26)27/h1-2H3.
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-dimethyl-4-(trifluoromethyl)pent-2-ene?
1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene has a molecular weight of 442.14 g/mol, XLogP of 6.83, 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-dimethyl-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 72792185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).