(E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene

C6H4Cl2F6 — CID 96880598

IUPAC(E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene
SMILESFC(F)(F)C[C@@H](Cl)/C=C(/Cl)C(F)(F)F
InChIInChI=1S/C6H4Cl2F6/c7-3(2-5(9,10)11)1-4(8)6(12,13)14/h1,3H,2H2/b4-1+/t3-/m0/s1
InChIKeyVDWLGNLWODLYEN-AGFFZDDWSA-N
MW260.99 g/mol
LogP4.23
Rot. Bonds2

About (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene

(E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene (PubChem CID 96880598) has the molecular formula C6H4Cl2F6 and a molecular weight of 260.99 g/mol. Its IUPAC name is (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene.

Molecular Properties

Compound Name(E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene
PubChem CID96880598
Molecular FormulaC6H4Cl2F6
Molecular Weight260.99 g/mol
Exact Mass259.96
IUPAC Name(E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene
SMILESFC(F)(F)C[C@@H](Cl)/C=C(/Cl)C(F)(F)F
InChIInChI=1S/C6H4Cl2F6/c7-3(2-5(9,10)11)1-4(8)6(12,13)14/h1,3H,2H2/b4-1+/t3-/m0/s1
InChIKeyVDWLGNLWODLYEN-AGFFZDDWSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.99
LogP ≤ 54.23
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 (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene?
The IUPAC name of (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene (CID 96880598) is (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene.
What is the SMILES notation for (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene?
The canonical SMILES for (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene is FC(F)(F)C[C@@H](Cl)/C=C(/Cl)C(F)(F)F.
What is the InChIKey of (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene?
The InChIKey is VDWLGNLWODLYEN-AGFFZDDWSA-N. The full InChI is InChI=1S/C6H4Cl2F6/c7-3(2-5(9,10)11)1-4(8)6(12,13)14/h1,3H,2H2/b4-1+/t3-/m0/s1.
What are the key properties of (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene?
(E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene has a molecular weight of 260.99 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene is sourced from PubChem (CID 96880598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).