1,3-dibromo-1,1,2,2-tetrafluorobutane

C4H4Br2F4 — CID 91273956

IUPAC1,3-dibromo-1,1,2,2-tetrafluorobutane
SMILESCC(Br)C(F)(F)C(F)(F)Br
InChIInChI=1S/C4H4Br2F4/c1-2(5)3(7,8)4(6,9)10/h2H,1H3
InChIKeyACIVPGXVHORPCS-UHFFFAOYSA-N
MW287.88 g/mol
LogP3.39
Rot. Bonds2

About 1,3-dibromo-1,1,2,2-tetrafluorobutane

1,3-dibromo-1,1,2,2-tetrafluorobutane (PubChem CID 91273956) has the molecular formula C4H4Br2F4 and a molecular weight of 287.88 g/mol. Its IUPAC name is 1,3-dibromo-1,1,2,2-tetrafluorobutane.

Molecular Properties

Compound Name1,3-dibromo-1,1,2,2-tetrafluorobutane
PubChem CID91273956
Molecular FormulaC4H4Br2F4
Molecular Weight287.88 g/mol
Exact Mass285.86
IUPAC Name1,3-dibromo-1,1,2,2-tetrafluorobutane
SMILESCC(Br)C(F)(F)C(F)(F)Br
InChIInChI=1S/C4H4Br2F4/c1-2(5)3(7,8)4(6,9)10/h2H,1H3
InChIKeyACIVPGXVHORPCS-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 53.39
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 1,3-dibromo-1,1,2,2-tetrafluorobutane?
The IUPAC name of 1,3-dibromo-1,1,2,2-tetrafluorobutane (CID 91273956) is 1,3-dibromo-1,1,2,2-tetrafluorobutane.
What is the SMILES notation for 1,3-dibromo-1,1,2,2-tetrafluorobutane?
The canonical SMILES for 1,3-dibromo-1,1,2,2-tetrafluorobutane is CC(Br)C(F)(F)C(F)(F)Br.
What is the InChIKey of 1,3-dibromo-1,1,2,2-tetrafluorobutane?
The InChIKey is ACIVPGXVHORPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2F4/c1-2(5)3(7,8)4(6,9)10/h2H,1H3.
What are the key properties of 1,3-dibromo-1,1,2,2-tetrafluorobutane?
1,3-dibromo-1,1,2,2-tetrafluorobutane has a molecular weight of 287.88 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1,1,2,2-tetrafluorobutane is sourced from PubChem (CID 91273956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).