5-chloro-2,4-difluoro-1,3-benzodioxole

C7H3ClF2O2 — CID 91024001

IUPAC5-chloro-2,4-difluoro-1,3-benzodioxole
SMILESFc1c(Cl)ccc2c1OC(F)O2
InChIInChI=1S/C7H3ClF2O2/c8-3-1-2-4-6(5(3)9)12-7(10)11-4/h1-2,7H
InChIKeyJPDOFEYLVXEURK-UHFFFAOYSA-N
MW192.55 g/mol
LogP2.50
Rot. Bonds

About 5-chloro-2,4-difluoro-1,3-benzodioxole

5-chloro-2,4-difluoro-1,3-benzodioxole (PubChem CID 91024001) has the molecular formula C7H3ClF2O2 and a molecular weight of 192.55 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-1,3-benzodioxole
PubChem CID91024001
Molecular FormulaC7H3ClF2O2
Molecular Weight192.55 g/mol
Exact Mass191.98
IUPAC Name5-chloro-2,4-difluoro-1,3-benzodioxole
SMILESFc1c(Cl)ccc2c1OC(F)O2
InChIInChI=1S/C7H3ClF2O2/c8-3-1-2-4-6(5(3)9)12-7(10)11-4/h1-2,7H
InChIKeyJPDOFEYLVXEURK-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.55
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-1,3-benzodioxole?
The IUPAC name of 5-chloro-2,4-difluoro-1,3-benzodioxole (CID 91024001) is 5-chloro-2,4-difluoro-1,3-benzodioxole.
What is the SMILES notation for 5-chloro-2,4-difluoro-1,3-benzodioxole?
The canonical SMILES for 5-chloro-2,4-difluoro-1,3-benzodioxole is Fc1c(Cl)ccc2c1OC(F)O2.
What is the InChIKey of 5-chloro-2,4-difluoro-1,3-benzodioxole?
The InChIKey is JPDOFEYLVXEURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2O2/c8-3-1-2-4-6(5(3)9)12-7(10)11-4/h1-2,7H.
What are the key properties of 5-chloro-2,4-difluoro-1,3-benzodioxole?
5-chloro-2,4-difluoro-1,3-benzodioxole has a molecular weight of 192.55 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-1,3-benzodioxole is sourced from PubChem (CID 91024001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).