(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene

C6H3ClF6 — CID 45075677

IUPAC(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene
SMILESFC(F)(F)/C=C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C6H3ClF6/c7-4(6(11,12)13)2-1-3-5(8,9)10/h1-3H/b3-1+,4-2-
InChIKeySJCYCPLWJASEGY-TZFCGSKZSA-N
MW224.53 g/mol
LogP3.79
Rot. Bonds1

About (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene

(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene (PubChem CID 45075677) has the molecular formula C6H3ClF6 and a molecular weight of 224.53 g/mol. Its IUPAC name is (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene
PubChem CID45075677
Molecular FormulaC6H3ClF6
Molecular Weight224.53 g/mol
Exact Mass223.98
IUPAC Name(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene
SMILESFC(F)(F)/C=C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C6H3ClF6/c7-4(6(11,12)13)2-1-3-5(8,9)10/h1-3H/b3-1+,4-2-
InChIKeySJCYCPLWJASEGY-TZFCGSKZSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene?
The IUPAC name of (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene (CID 45075677) is (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene.
What is the SMILES notation for (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene?
The canonical SMILES for (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene is FC(F)(F)/C=C/C=C(\Cl)C(F)(F)F.
What is the InChIKey of (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene?
The InChIKey is SJCYCPLWJASEGY-TZFCGSKZSA-N. The full InChI is InChI=1S/C6H3ClF6/c7-4(6(11,12)13)2-1-3-5(8,9)10/h1-3H/b3-1+,4-2-.
What are the key properties of (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene?
(2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene has a molecular weight of 224.53 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-chloro-1,1,1,6,6,6-hexafluorohexa-2,4-diene is sourced from PubChem (CID 45075677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).