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

C4Cl4F4 — CID 13031271

IUPAC3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4Cl4F4/c5-3(12,4(6,7)8)1(9)2(10)11
InChIKeyDNIZCYASZMCHDO-UHFFFAOYSA-N
MW265.85 g/mol
LogP4.34
Rot. Bonds1

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

3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene (PubChem CID 13031271) has the molecular formula C4Cl4F4 and a molecular weight of 265.85 g/mol. Its IUPAC name is 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene
PubChem CID13031271
Molecular FormulaC4Cl4F4
Molecular Weight265.85 g/mol
Exact Mass263.87
IUPAC Name3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4Cl4F4/c5-3(12,4(6,7)8)1(9)2(10)11
InChIKeyDNIZCYASZMCHDO-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene?
The IUPAC name of 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene (CID 13031271) is 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene.
What is the SMILES notation for 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene?
The canonical SMILES for 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene is FC(F)=C(F)C(F)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene?
The InChIKey is DNIZCYASZMCHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl4F4/c5-3(12,4(6,7)8)1(9)2(10)11.
What are the key properties of 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene?
3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene has a molecular weight of 265.85 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene is sourced from PubChem (CID 13031271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).