1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine

C10H10Br4F4O4 — CID 158245110

IUPAC1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine
SMILESBrBr.CC(=O)C(F)(F)C(C)=O.O=C(CBr)C(F)(F)C(=O)CBr
InChIInChI=1S/C5H4Br2F2O2.C5H6F2O2.Br2/c6-1-3(10)5(8,9)4(11)2-7;1-3(8)5(6,7)4(2)9;1-2/h1-2H2;1-2H3;
InChIKeyGGADXTNKYCUOSQ-UHFFFAOYSA-N
MW589.79 g/mol
LogP4.04
Rot. Bonds6

About 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine

1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine (PubChem CID 158245110) has the molecular formula C10H10Br4F4O4 and a molecular weight of 589.79 g/mol. Its IUPAC name is 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine.

Molecular Properties

Compound Name1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine
PubChem CID158245110
Molecular FormulaC10H10Br4F4O4
Molecular Weight589.79 g/mol
Exact Mass585.72
IUPAC Name1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine
SMILESBrBr.CC(=O)C(F)(F)C(C)=O.O=C(CBr)C(F)(F)C(=O)CBr
InChIInChI=1S/C5H4Br2F2O2.C5H6F2O2.Br2/c6-1-3(10)5(8,9)4(11)2-7;1-3(8)5(6,7)4(2)9;1-2/h1-2H2;1-2H3;
InChIKeyGGADXTNKYCUOSQ-UHFFFAOYSA-N
XLogP4.04
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine?
The IUPAC name of 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine (CID 158245110) is 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine.
What is the SMILES notation for 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine?
The canonical SMILES for 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine is BrBr.CC(=O)C(F)(F)C(C)=O.O=C(CBr)C(F)(F)C(=O)CBr.
What is the InChIKey of 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine?
The InChIKey is GGADXTNKYCUOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2F2O2.C5H6F2O2.Br2/c6-1-3(10)5(8,9)4(11)2-7;1-3(8)5(6,7)4(2)9;1-2/h1-2H2;1-2H3;.
What are the key properties of 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine?
1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine has a molecular weight of 589.79 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3,3-difluoropentane-2,4-dione;3,3-difluoropentane-2,4-dione;molecular bromine is sourced from PubChem (CID 158245110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).