1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene

C5Cl6F2 — CID 102247570

IUPAC1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene
SMILESFC(F)(C(Cl)=C(Cl)Cl)C(Cl)=C(Cl)Cl
InChIInChI=1S/C5Cl6F2/c6-1(3(8)9)5(12,13)2(7)4(10)11
InChIKeyDAEDSESFTSKAKS-UHFFFAOYSA-N
MW310.77 g/mol
LogP5.39
Rot. Bonds2

About 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene

1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene (PubChem CID 102247570) has the molecular formula C5Cl6F2 and a molecular weight of 310.77 g/mol. Its IUPAC name is 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene.

Molecular Properties

Compound Name1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene
PubChem CID102247570
Molecular FormulaC5Cl6F2
Molecular Weight310.77 g/mol
Exact Mass307.81
IUPAC Name1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene
SMILESFC(F)(C(Cl)=C(Cl)Cl)C(Cl)=C(Cl)Cl
InChIInChI=1S/C5Cl6F2/c6-1(3(8)9)5(12,13)2(7)4(10)11
InChIKeyDAEDSESFTSKAKS-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.77
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene?
The IUPAC name of 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene (CID 102247570) is 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene.
What is the SMILES notation for 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene?
The canonical SMILES for 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene is FC(F)(C(Cl)=C(Cl)Cl)C(Cl)=C(Cl)Cl.
What is the InChIKey of 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene?
The InChIKey is DAEDSESFTSKAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl6F2/c6-1(3(8)9)5(12,13)2(7)4(10)11.
What are the key properties of 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene?
1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene has a molecular weight of 310.77 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,5,5-hexachloro-3,3-difluoropenta-1,4-diene is sourced from PubChem (CID 102247570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).