1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene

C5Cl4F4 — CID 11346464

IUPAC1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene
SMILESFC1(F)C(Cl)=C(Cl)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C5Cl4F4/c6-1-2(7)4(11,12)5(9,13)3(1,8)10
InChIKeyOTBDGDBQMYBTLY-UHFFFAOYSA-N
MW277.86 g/mol
LogP4.13
Rot. Bonds

About 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene

1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene (PubChem CID 11346464) has the molecular formula C5Cl4F4 and a molecular weight of 277.86 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene
PubChem CID11346464
Molecular FormulaC5Cl4F4
Molecular Weight277.86 g/mol
Exact Mass275.87
IUPAC Name1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene
SMILESFC1(F)C(Cl)=C(Cl)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C5Cl4F4/c6-1-2(7)4(11,12)5(9,13)3(1,8)10
InChIKeyOTBDGDBQMYBTLY-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.86
LogP ≤ 54.13
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 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene?
The IUPAC name of 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene (CID 11346464) is 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene.
What is the SMILES notation for 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene?
The canonical SMILES for 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene is FC1(F)C(Cl)=C(Cl)C(F)(Cl)C1(F)Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene?
The InChIKey is OTBDGDBQMYBTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl4F4/c6-1-2(7)4(11,12)5(9,13)3(1,8)10.
What are the key properties of 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene?
1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene has a molecular weight of 277.86 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene is sourced from PubChem (CID 11346464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).