(E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene

C12H5F19 — CID 12672278

IUPAC(E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene
SMILESFC(F)(F)C(C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H5F19/c13-6(14,15)4(7(16,17)18)2-1-3-5(10(23,24)25,11(26,27)28)8(19,20)9(21,22)12(29,30)31/h1,3-4H,2H2/b3-1+
InChIKeyIWWMXKNXJNKSNJ-HNQUOIGGSA-N
MW510.13 g/mol
LogP7.62
Rot. Bonds5

About (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene

(E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene (PubChem CID 12672278) has the molecular formula C12H5F19 and a molecular weight of 510.13 g/mol. Its IUPAC name is (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene.

Molecular Properties

Compound Name(E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene
PubChem CID12672278
Molecular FormulaC12H5F19
Molecular Weight510.13 g/mol
Exact Mass510.01
IUPAC Name(E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene
SMILESFC(F)(F)C(C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H5F19/c13-6(14,15)4(7(16,17)18)2-1-3-5(10(23,24)25,11(26,27)28)8(19,20)9(21,22)12(29,30)31/h1,3-4H,2H2/b3-1+
InChIKeyIWWMXKNXJNKSNJ-HNQUOIGGSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.13
LogP ≤ 57.62
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 (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene?
The IUPAC name of (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene (CID 12672278) is (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene.
What is the SMILES notation for (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene?
The canonical SMILES for (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene is FC(F)(F)C(C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene?
The InChIKey is IWWMXKNXJNKSNJ-HNQUOIGGSA-N. The full InChI is InChI=1S/C12H5F19/c13-6(14,15)4(7(16,17)18)2-1-3-5(10(23,24)25,11(26,27)28)8(19,20)9(21,22)12(29,30)31/h1,3-4H,2H2/b3-1+.
What are the key properties of (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene?
(E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene has a molecular weight of 510.13 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,7,7,8,8,9,9,9-decafluoro-2,6,6-tris(trifluoromethyl)non-4-ene is sourced from PubChem (CID 12672278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).