1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene

C16H6F26 — CID 129028030

IUPAC1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene
SMILESCC(F)(C(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H6F26/c1-5(17,9(21,22)10(23,24)16(40,41)42)3(6(2,18)11(25,26)27)4(7(19,12(28,29)30)13(31,32)33)8(20,14(34,35)36)15(37,38)39/h1-2H3
InChIKeyCQOBYZLNWHZEOV-UHFFFAOYSA-N
MW692.17 g/mol
LogP9.80
Rot. Bonds6

About 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene

1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene (PubChem CID 129028030) has the molecular formula C16H6F26 and a molecular weight of 692.17 g/mol. Its IUPAC name is 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene.

Molecular Properties

Compound Name1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene
PubChem CID129028030
Molecular FormulaC16H6F26
Molecular Weight692.17 g/mol
Exact Mass692.01
IUPAC Name1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene
SMILESCC(F)(C(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H6F26/c1-5(17,9(21,22)10(23,24)16(40,41)42)3(6(2,18)11(25,26)27)4(7(19,12(28,29)30)13(31,32)33)8(20,14(34,35)36)15(37,38)39/h1-2H3
InChIKeyCQOBYZLNWHZEOV-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.17
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene?
The IUPAC name of 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene (CID 129028030) is 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene.
What is the SMILES notation for 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene?
The canonical SMILES for 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene is CC(F)(C(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene?
The InChIKey is CQOBYZLNWHZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F26/c1-5(17,9(21,22)10(23,24)16(40,41)42)3(6(2,18)11(25,26)27)4(7(19,12(28,29)30)13(31,32)33)8(20,14(34,35)36)15(37,38)39/h1-2H3.
What are the key properties of 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene?
1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene has a molecular weight of 692.17 g/mol, XLogP of 9.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,5,6,6,7,7,8,8,8-dodecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oct-3-ene is sourced from PubChem (CID 129028030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).