5,6-dichloro-2,2-difluoro-1,3-benzodioxole

C7H2Cl2F2O2 — CID 11009682

IUPAC5,6-dichloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C7H2Cl2F2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKeyVDFORELLOFIVJI-UHFFFAOYSA-N
MW226.99 g/mol
LogP3.31
Rot. Bonds

About 5,6-dichloro-2,2-difluoro-1,3-benzodioxole

5,6-dichloro-2,2-difluoro-1,3-benzodioxole (PubChem CID 11009682) has the molecular formula C7H2Cl2F2O2 and a molecular weight of 226.99 g/mol. Its IUPAC name is 5,6-dichloro-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5,6-dichloro-2,2-difluoro-1,3-benzodioxole
PubChem CID11009682
Molecular FormulaC7H2Cl2F2O2
Molecular Weight226.99 g/mol
Exact Mass225.94
IUPAC Name5,6-dichloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C7H2Cl2F2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKeyVDFORELLOFIVJI-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.99
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 5,6-dichloro-2,2-difluoro-1,3-benzodioxole (CID 11009682) is 5,6-dichloro-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 5,6-dichloro-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 5,6-dichloro-2,2-difluoro-1,3-benzodioxole is FC1(F)Oc2cc(Cl)c(Cl)cc2O1.
What is the InChIKey of 5,6-dichloro-2,2-difluoro-1,3-benzodioxole?
The InChIKey is VDFORELLOFIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H.
What are the key properties of 5,6-dichloro-2,2-difluoro-1,3-benzodioxole?
5,6-dichloro-2,2-difluoro-1,3-benzodioxole has a molecular weight of 226.99 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 11009682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).