4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole

C11H4Br2F2O3 — CID 168525408

IUPAC4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole
SMILESFC1(F)Oc2cc(Br)c(-c3ccco3)c(Br)c2O1
InChIInChI=1S/C11H4Br2F2O3/c12-5-4-7-10(18-11(14,15)17-7)9(13)8(5)6-2-1-3-16-6/h1-4H
InChIKeyWUNAOUZDPJKENC-UHFFFAOYSA-N
MW381.95 g/mol
LogP4.79
Rot. Bonds1

About 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole

4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole (PubChem CID 168525408) has the molecular formula C11H4Br2F2O3 and a molecular weight of 381.95 g/mol. Its IUPAC name is 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole.

Molecular Properties

Compound Name4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole
PubChem CID168525408
Molecular FormulaC11H4Br2F2O3
Molecular Weight381.95 g/mol
Exact Mass379.85
IUPAC Name4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole
SMILESFC1(F)Oc2cc(Br)c(-c3ccco3)c(Br)c2O1
InChIInChI=1S/C11H4Br2F2O3/c12-5-4-7-10(18-11(14,15)17-7)9(13)8(5)6-2-1-3-16-6/h1-4H
InChIKeyWUNAOUZDPJKENC-UHFFFAOYSA-N
XLogP4.79
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole?
The IUPAC name of 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole (CID 168525408) is 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole.
What is the SMILES notation for 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole?
The canonical SMILES for 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole is FC1(F)Oc2cc(Br)c(-c3ccco3)c(Br)c2O1.
What is the InChIKey of 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole?
The InChIKey is WUNAOUZDPJKENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2F2O3/c12-5-4-7-10(18-11(14,15)17-7)9(13)8(5)6-2-1-3-16-6/h1-4H.
What are the key properties of 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole?
4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole has a molecular weight of 381.95 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole is sourced from PubChem (CID 168525408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).