2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene

C4Cl2F6 — CID 19103173

IUPAC2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene
SMILESFC(F)=C(Cl)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C4Cl2F6/c5-1(2(7)8)3(6,9)4(10,11)12
InChIKeyJJPSNVRYEOHSAD-UHFFFAOYSA-N
MW232.94 g/mol
LogP3.80
Rot. Bonds1

About 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene

2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene (PubChem CID 19103173) has the molecular formula C4Cl2F6 and a molecular weight of 232.94 g/mol. Its IUPAC name is 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene.

Molecular Properties

Compound Name2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene
PubChem CID19103173
Molecular FormulaC4Cl2F6
Molecular Weight232.94 g/mol
Exact Mass231.93
IUPAC Name2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene
SMILESFC(F)=C(Cl)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C4Cl2F6/c5-1(2(7)8)3(6,9)4(10,11)12
InChIKeyJJPSNVRYEOHSAD-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.94
LogP ≤ 53.80
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-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene?
The IUPAC name of 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene (CID 19103173) is 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene.
What is the SMILES notation for 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene?
The canonical SMILES for 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene is FC(F)=C(Cl)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene?
The InChIKey is JJPSNVRYEOHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F6/c5-1(2(7)8)3(6,9)4(10,11)12.
What are the key properties of 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene?
2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene has a molecular weight of 232.94 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,1,3,4,4,4-hexafluorobut-1-ene is sourced from PubChem (CID 19103173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).