1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene

C5Br3F5 — CID 154357650

IUPAC1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene
SMILESFC1(F)C(Br)=C(Br)C(F)(Br)C1(F)F
InChIInChI=1S/C5Br3F5/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKeyJBXVQWZKUUQXSD-UHFFFAOYSA-N
MW394.76 g/mol
LogP4.33
Rot. Bonds

About 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene

1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene (PubChem CID 154357650) has the molecular formula C5Br3F5 and a molecular weight of 394.76 g/mol. Its IUPAC name is 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene.

Molecular Properties

Compound Name1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene
PubChem CID154357650
Molecular FormulaC5Br3F5
Molecular Weight394.76 g/mol
Exact Mass391.75
IUPAC Name1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene
SMILESFC1(F)C(Br)=C(Br)C(F)(Br)C1(F)F
InChIInChI=1S/C5Br3F5/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKeyJBXVQWZKUUQXSD-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene?
The IUPAC name of 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene (CID 154357650) is 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene.
What is the SMILES notation for 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene?
The canonical SMILES for 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene is FC1(F)C(Br)=C(Br)C(F)(Br)C1(F)F.
What is the InChIKey of 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene?
The InChIKey is JBXVQWZKUUQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Br3F5/c6-1-2(7)4(10,11)5(12,13)3(1,8)9.
What are the key properties of 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene?
1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene has a molecular weight of 394.76 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-3,4,4,5,5-pentafluorocyclopentene is sourced from PubChem (CID 154357650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).