2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene

C4Cl6F2 — CID 13031273

IUPAC2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene
SMILESFC(F)=C(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4Cl6F2/c5-1(2(11)12)3(6,7)4(8,9)10
InChIKeySWVXYDDFKBZQON-UHFFFAOYSA-N
MW298.76 g/mol
LogP4.88
Rot. Bonds1

About 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene

2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene (PubChem CID 13031273) has the molecular formula C4Cl6F2 and a molecular weight of 298.76 g/mol. Its IUPAC name is 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene
PubChem CID13031273
Molecular FormulaC4Cl6F2
Molecular Weight298.76 g/mol
Exact Mass295.81
IUPAC Name2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene
SMILESFC(F)=C(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4Cl6F2/c5-1(2(11)12)3(6,7)4(8,9)10
InChIKeySWVXYDDFKBZQON-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 54.88
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 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene?
The IUPAC name of 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene (CID 13031273) is 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene.
What is the SMILES notation for 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene?
The canonical SMILES for 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene is FC(F)=C(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene?
The InChIKey is SWVXYDDFKBZQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl6F2/c5-1(2(11)12)3(6,7)4(8,9)10.
What are the key properties of 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene?
2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene has a molecular weight of 298.76 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,4-hexachloro-1,1-difluorobut-1-ene is sourced from PubChem (CID 13031273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).