(5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene

C12F22 — CID 12710297

IUPAC(5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene
SMILESF/C(=C(/C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F22/c13-4(3(10(26,27)28)6(16,11(29,30)31)12(32,33)34)5(14,15)1(7(17,18)19)2(8(20,21)22)9(23,24)25/b4-3+
InChIKeyBFVGFSOTGDXRMU-ONEGZZNKSA-N
MW562.09 g/mol
LogP8.22
Rot. Bonds3

About (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene

(5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene (PubChem CID 12710297) has the molecular formula C12F22 and a molecular weight of 562.09 g/mol. Its IUPAC name is (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene.

Molecular Properties

Compound Name(5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene
PubChem CID12710297
Molecular FormulaC12F22
Molecular Weight562.09 g/mol
Exact Mass561.96
IUPAC Name(5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene
SMILESF/C(=C(/C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F22/c13-4(3(10(26,27)28)6(16,11(29,30)31)12(32,33)34)5(14,15)1(7(17,18)19)2(8(20,21)22)9(23,24)25/b4-3+
InChIKeyBFVGFSOTGDXRMU-ONEGZZNKSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.09
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Perfluoro(2-methyl-2-pentene)
CID 74105
1,1,1,4,5,5,5-Heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-ene
CID 121670
(2Z)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 9908930
(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 11732112
Perfluoro(3-isopropyl-4-methyl-2-pentene)
CID 12708035
Perfluoromethyl(diisopropyl) ethylene
CID 54050815
Perfluoro-2,2,9,9-tetramethyldeca-3,7-diene
CID 138396244
Perfluoro(3-ethyl-4-methyl-2-pentene)
CID 73077840
Perfluoro-2,5,5-trimethyl-2-hexene
CID 12860796
Cyclobutene, 1,2,3,3,4-pentafluoro-4-(trifluoromethyl)-
CID 145427
2-Pentene, 1,1,1,3,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-
CID 10970150
Perfluoro-2-methyl-2-hexene
CID 11233394

Frequently Asked Questions

What is the IUPAC name of (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene?
The IUPAC name of (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene (CID 12710297) is (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene.
What is the SMILES notation for (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene?
The canonical SMILES for (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene is F/C(=C(/C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene?
The InChIKey is BFVGFSOTGDXRMU-ONEGZZNKSA-N. The full InChI is InChI=1S/C12F22/c13-4(3(10(26,27)28)6(16,11(29,30)31)12(32,33)34)5(14,15)1(7(17,18)19)2(8(20,21)22)9(23,24)25/b4-3+.
What are the key properties of (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene?
(5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene has a molecular weight of 562.09 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene is sourced from PubChem (CID 12710297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).