3,4-dibromo-1,1,1,2,2-pentafluorobutane

C4H3Br2F5 — CID 2773990

IUPAC3,4-dibromo-1,1,1,2,2-pentafluorobutane
SMILESFC(F)(F)C(F)(F)C(Br)CBr
InChIInChI=1S/C4H3Br2F5/c5-1-2(6)3(7,8)4(9,10)11/h2H,1H2
InChIKeyLRKIMNKTUXHNLV-UHFFFAOYSA-N
MW305.87 g/mol
LogP3.34
Rot. Bonds2

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

3,4-dibromo-1,1,1,2,2-pentafluorobutane (PubChem CID 2773990) has the molecular formula C4H3Br2F5 and a molecular weight of 305.87 g/mol. Its IUPAC name is 3,4-dibromo-1,1,1,2,2-pentafluorobutane.

Molecular Properties

Compound Name3,4-dibromo-1,1,1,2,2-pentafluorobutane
PubChem CID2773990
Molecular FormulaC4H3Br2F5
Molecular Weight305.87 g/mol
Exact Mass303.85
IUPAC Name3,4-dibromo-1,1,1,2,2-pentafluorobutane
SMILESFC(F)(F)C(F)(F)C(Br)CBr
InChIInChI=1S/C4H3Br2F5/c5-1-2(6)3(7,8)4(9,10)11/h2H,1H2
InChIKeyLRKIMNKTUXHNLV-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 53.34
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-1,1,1,2,2-pentafluorobutane?
The IUPAC name of 3,4-dibromo-1,1,1,2,2-pentafluorobutane (CID 2773990) is 3,4-dibromo-1,1,1,2,2-pentafluorobutane.
What is the SMILES notation for 3,4-dibromo-1,1,1,2,2-pentafluorobutane?
The canonical SMILES for 3,4-dibromo-1,1,1,2,2-pentafluorobutane is FC(F)(F)C(F)(F)C(Br)CBr.
What is the InChIKey of 3,4-dibromo-1,1,1,2,2-pentafluorobutane?
The InChIKey is LRKIMNKTUXHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2F5/c5-1-2(6)3(7,8)4(9,10)11/h2H,1H2.
What are the key properties of 3,4-dibromo-1,1,1,2,2-pentafluorobutane?
3,4-dibromo-1,1,1,2,2-pentafluorobutane has a molecular weight of 305.87 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1,1,1,2,2-pentafluorobutane is sourced from PubChem (CID 2773990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).