1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene

C12F24 — CID 12710298

IUPAC1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene
SMILESFC(F)(F)C(=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24/c13-3(14,1(4(15,16)17)2(5(18,19)20)6(21,22)23)9(26,27)7(24,10(28,29)30)8(25,11(31,32)33)12(34,35)36
InChIKeyOOMCPVKLDQWHAD-UHFFFAOYSA-N
MW600.08 g/mol
LogP8.34
Rot. Bonds4

About 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene

1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene (PubChem CID 12710298) has the molecular formula C12F24 and a molecular weight of 600.08 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene
PubChem CID12710298
Molecular FormulaC12F24
Molecular Weight600.08 g/mol
Exact Mass599.96
IUPAC Name1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene
SMILESFC(F)(F)C(=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24/c13-3(14,1(4(15,16)17)2(5(18,19)20)6(21,22)23)9(26,27)7(24,10(28,29)30)8(25,11(31,32)33)12(34,35)36
InChIKeyOOMCPVKLDQWHAD-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 58.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene (CID 12710298) is 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene is FC(F)(F)C(=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene?
The InChIKey is OOMCPVKLDQWHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F24/c13-3(14,1(4(15,16)17)2(5(18,19)20)6(21,22)23)9(26,27)7(24,10(28,29)30)8(25,11(31,32)33)12(34,35)36.
What are the key properties of 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene?
1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene has a molecular weight of 600.08 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,6,7,8,8,8-dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene is sourced from PubChem (CID 12710298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).