3,4-dibromo-1,1,2,2-tetrafluorocyclobutane

C4H2Br2F4 — CID 119095773

IUPAC3,4-dibromo-1,1,2,2-tetrafluorocyclobutane
SMILESFC1(F)C(Br)C(Br)C1(F)F
InChIInChI=1S/C4H2Br2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H
InChIKeyXRSQTUNBNGJXEO-UHFFFAOYSA-N
MW285.86 g/mol
LogP2.80
Rot. Bonds

About 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane

3,4-dibromo-1,1,2,2-tetrafluorocyclobutane (PubChem CID 119095773) has the molecular formula C4H2Br2F4 and a molecular weight of 285.86 g/mol. Its IUPAC name is 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane.

Molecular Properties

Compound Name3,4-dibromo-1,1,2,2-tetrafluorocyclobutane
PubChem CID119095773
Molecular FormulaC4H2Br2F4
Molecular Weight285.86 g/mol
Exact Mass283.85
IUPAC Name3,4-dibromo-1,1,2,2-tetrafluorocyclobutane
SMILESFC1(F)C(Br)C(Br)C1(F)F
InChIInChI=1S/C4H2Br2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H
InChIKeyXRSQTUNBNGJXEO-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 52.80
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 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
The IUPAC name of 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane (CID 119095773) is 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane.
What is the SMILES notation for 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
The canonical SMILES for 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane is FC1(F)C(Br)C(Br)C1(F)F.
What is the InChIKey of 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
The InChIKey is XRSQTUNBNGJXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H.
What are the key properties of 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
3,4-dibromo-1,1,2,2-tetrafluorocyclobutane has a molecular weight of 285.86 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1,1,2,2-tetrafluorocyclobutane is sourced from PubChem (CID 119095773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).