4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

C5Br2F8O2 — CID 19099818

IUPAC4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)OC(F)(Br)C(F)(Br)O1
InChIInChI=1S/C5Br2F8O2/c6-2(8)3(7,9)17-1(16-2,4(10,11)12)5(13,14)15
InChIKeyVAFAODCZDOCONB-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.89
Rot. Bonds

About 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 19099818) has the molecular formula C5Br2F8O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID19099818
Molecular FormulaC5Br2F8O2
Molecular Weight403.85 g/mol
Exact Mass401.81
IUPAC Name4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)OC(F)(Br)C(F)(Br)O1
InChIInChI=1S/C5Br2F8O2/c6-2(8)3(7,9)17-1(16-2,4(10,11)12)5(13,14)15
InChIKeyVAFAODCZDOCONB-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 19099818) is 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(C(F)(F)F)OC(F)(Br)C(F)(Br)O1.
What is the InChIKey of 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is VAFAODCZDOCONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Br2F8O2/c6-2(8)3(7,9)17-1(16-2,4(10,11)12)5(13,14)15.
What are the key properties of 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 403.85 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 19099818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).