2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene

C8H4Cl4F8 — CID 150379236

IUPAC2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene
SMILESFC=C(Cl)C(Cl)C(Cl)(Cl)C(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H4Cl4F8/c9-2(1-13)3(10)6(11,12)4(14)7(16,17)5(15)8(18,19)20/h1,3-5H
InChIKeyGZJDGSLAIPPYAN-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.69
Rot. Bonds5

About 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene

2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene (PubChem CID 150379236) has the molecular formula C8H4Cl4F8 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene.

Molecular Properties

Compound Name2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene
PubChem CID150379236
Molecular FormulaC8H4Cl4F8
Molecular Weight393.92 g/mol
Exact Mass391.89
IUPAC Name2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene
SMILESFC=C(Cl)C(Cl)C(Cl)(Cl)C(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H4Cl4F8/c9-2(1-13)3(10)6(11,12)4(14)7(16,17)5(15)8(18,19)20/h1,3-5H
InChIKeyGZJDGSLAIPPYAN-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene?
The IUPAC name of 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene (CID 150379236) is 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene.
What is the SMILES notation for 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene?
The canonical SMILES for 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene is FC=C(Cl)C(Cl)C(Cl)(Cl)C(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene?
The InChIKey is GZJDGSLAIPPYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl4F8/c9-2(1-13)3(10)6(11,12)4(14)7(16,17)5(15)8(18,19)20/h1,3-5H.
What are the key properties of 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene?
2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene has a molecular weight of 393.92 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene is sourced from PubChem (CID 150379236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).