1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene

C6Br2F8 — CID 23233739

IUPAC1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC1(F)C(Br)=C(Br)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6Br2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
InChIKeyXRKKFDVNYCJGDD-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.54
Rot. Bonds

About 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene

1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene (PubChem CID 23233739) has the molecular formula C6Br2F8 and a molecular weight of 383.86 g/mol. Its IUPAC name is 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene.

Molecular Properties

Compound Name1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene
PubChem CID23233739
Molecular FormulaC6Br2F8
Molecular Weight383.86 g/mol
Exact Mass381.82
IUPAC Name1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC1(F)C(Br)=C(Br)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6Br2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
InChIKeyXRKKFDVNYCJGDD-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene?
The IUPAC name of 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene (CID 23233739) is 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene.
What is the SMILES notation for 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene?
The canonical SMILES for 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene is FC1(F)C(Br)=C(Br)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene?
The InChIKey is XRKKFDVNYCJGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10.
What are the key properties of 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene?
1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene has a molecular weight of 383.86 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene is sourced from PubChem (CID 23233739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).