(E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene

C5H2Cl2F6 — CID 155213353

IUPAC(E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene
SMILESFC(F)(F)/C=C/C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5H2Cl2F6/c6-3(8,5(7,12)13)1-2-4(9,10)11/h1-2H/b2-1+
InChIKeyLQSAZLIJDDBWTL-OWOJBTEDSA-N
MW246.97 g/mol
LogP3.84
Rot. Bonds2

About (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene

(E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene (PubChem CID 155213353) has the molecular formula C5H2Cl2F6 and a molecular weight of 246.97 g/mol. Its IUPAC name is (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene.

Molecular Properties

Compound Name(E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene
PubChem CID155213353
Molecular FormulaC5H2Cl2F6
Molecular Weight246.97 g/mol
Exact Mass245.94
IUPAC Name(E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene
SMILESFC(F)(F)/C=C/C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5H2Cl2F6/c6-3(8,5(7,12)13)1-2-4(9,10)11/h1-2H/b2-1+
InChIKeyLQSAZLIJDDBWTL-OWOJBTEDSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.97
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene?
The IUPAC name of (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene (CID 155213353) is (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene.
What is the SMILES notation for (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene?
The canonical SMILES for (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene is FC(F)(F)/C=C/C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene?
The InChIKey is LQSAZLIJDDBWTL-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H2Cl2F6/c6-3(8,5(7,12)13)1-2-4(9,10)11/h1-2H/b2-1+.
What are the key properties of (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene?
(E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene has a molecular weight of 246.97 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-dichloro-1,1,1,4,5,5-hexafluoropent-2-ene is sourced from PubChem (CID 155213353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).