1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane

C4H2Cl4F4 — CID 57001137

IUPAC1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
SMILESFC(Cl)C(Cl)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H2Cl4F4/c5-1(2(6)9)3(7,10)4(8,11)12/h1-2H
InChIKeyAOCHULOUQLWOMR-UHFFFAOYSA-N
MW267.86 g/mol
LogP3.86
Rot. Bonds3

About 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane

1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane (PubChem CID 57001137) has the molecular formula C4H2Cl4F4 and a molecular weight of 267.86 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
PubChem CID57001137
Molecular FormulaC4H2Cl4F4
Molecular Weight267.86 g/mol
Exact Mass265.88
IUPAC Name1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
SMILESFC(Cl)C(Cl)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H2Cl4F4/c5-1(2(6)9)3(7,10)4(8,11)12/h1-2H
InChIKeyAOCHULOUQLWOMR-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.86
LogP ≤ 53.86
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 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane?
The IUPAC name of 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane (CID 57001137) is 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane.
What is the SMILES notation for 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane?
The canonical SMILES for 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane is FC(Cl)C(Cl)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane?
The InChIKey is AOCHULOUQLWOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl4F4/c5-1(2(6)9)3(7,10)4(8,11)12/h1-2H.
What are the key properties of 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane?
1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane has a molecular weight of 267.86 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane is sourced from PubChem (CID 57001137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).