1,5,5-trichloro-6,6,6-trifluorohex-2-ene

C6H6Cl3F3 — CID 71367550

IUPAC1,5,5-trichloro-6,6,6-trifluorohex-2-ene
SMILESFC(F)(F)C(Cl)(Cl)CC=CCCl
InChIInChI=1S/C6H6Cl3F3/c7-4-2-1-3-5(8,9)6(10,11)12/h1-2H,3-4H2
InChIKeyFDLUCKVEQPUKCR-UHFFFAOYSA-N
MW241.47 g/mol
LogP3.91
Rot. Bonds3

About 1,5,5-trichloro-6,6,6-trifluorohex-2-ene

1,5,5-trichloro-6,6,6-trifluorohex-2-ene (PubChem CID 71367550) has the molecular formula C6H6Cl3F3 and a molecular weight of 241.47 g/mol. Its IUPAC name is 1,5,5-trichloro-6,6,6-trifluorohex-2-ene.

Molecular Properties

Compound Name1,5,5-trichloro-6,6,6-trifluorohex-2-ene
PubChem CID71367550
Molecular FormulaC6H6Cl3F3
Molecular Weight241.47 g/mol
Exact Mass239.95
IUPAC Name1,5,5-trichloro-6,6,6-trifluorohex-2-ene
SMILESFC(F)(F)C(Cl)(Cl)CC=CCCl
InChIInChI=1S/C6H6Cl3F3/c7-4-2-1-3-5(8,9)6(10,11)12/h1-2H,3-4H2
InChIKeyFDLUCKVEQPUKCR-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.47
LogP ≤ 53.91
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 1,5,5-trichloro-6,6,6-trifluorohex-2-ene?
The IUPAC name of 1,5,5-trichloro-6,6,6-trifluorohex-2-ene (CID 71367550) is 1,5,5-trichloro-6,6,6-trifluorohex-2-ene.
What is the SMILES notation for 1,5,5-trichloro-6,6,6-trifluorohex-2-ene?
The canonical SMILES for 1,5,5-trichloro-6,6,6-trifluorohex-2-ene is FC(F)(F)C(Cl)(Cl)CC=CCCl.
What is the InChIKey of 1,5,5-trichloro-6,6,6-trifluorohex-2-ene?
The InChIKey is FDLUCKVEQPUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3F3/c7-4-2-1-3-5(8,9)6(10,11)12/h1-2H,3-4H2.
What are the key properties of 1,5,5-trichloro-6,6,6-trifluorohex-2-ene?
1,5,5-trichloro-6,6,6-trifluorohex-2-ene has a molecular weight of 241.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trichloro-6,6,6-trifluorohex-2-ene is sourced from PubChem (CID 71367550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).