5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole

C7H2BrClF2O2 — CID 11543608

IUPAC5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2cc(Cl)c(Br)cc2O1
InChIInChI=1S/C7H2BrClF2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKeyXTQZJIDYGRBKKT-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.42
Rot. Bonds

About 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole

5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole (PubChem CID 11543608) has the molecular formula C7H2BrClF2O2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole
PubChem CID11543608
Molecular FormulaC7H2BrClF2O2
Molecular Weight271.44 g/mol
Exact Mass269.89
IUPAC Name5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2cc(Cl)c(Br)cc2O1
InChIInChI=1S/C7H2BrClF2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKeyXTQZJIDYGRBKKT-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole (CID 11543608) is 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole is FC1(F)Oc2cc(Cl)c(Br)cc2O1.
What is the InChIKey of 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole?
The InChIKey is XTQZJIDYGRBKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H.
What are the key properties of 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole?
5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole has a molecular weight of 271.44 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 11543608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).