1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene

C4Cl4F4 — CID 520757

IUPAC1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene
SMILESFC(Cl)=C(F)C(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C4Cl4F4/c5-2(10)1(9)3(6,11)4(7,8)12
InChIKeyCYLIGQKNBPAGBL-UHFFFAOYSA-N
MW265.85 g/mol
LogP4.34
Rot. Bonds2

About 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene

1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene (PubChem CID 520757) has the molecular formula C4Cl4F4 and a molecular weight of 265.85 g/mol. Its IUPAC name is 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene
PubChem CID520757
Molecular FormulaC4Cl4F4
Molecular Weight265.85 g/mol
Exact Mass263.87
IUPAC Name1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene
SMILESFC(Cl)=C(F)C(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C4Cl4F4/c5-2(10)1(9)3(6,11)4(7,8)12
InChIKeyCYLIGQKNBPAGBL-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.85
LogP ≤ 54.34
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 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene?
The IUPAC name of 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene (CID 520757) is 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene.
What is the SMILES notation for 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene?
The canonical SMILES for 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene is FC(Cl)=C(F)C(F)(Cl)C(F)(Cl)Cl.
What is the InChIKey of 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene?
The InChIKey is CYLIGQKNBPAGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl4F4/c5-2(10)1(9)3(6,11)4(7,8)12.
What are the key properties of 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene?
1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene has a molecular weight of 265.85 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobut-1-ene is sourced from PubChem (CID 520757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).