5-chloro-2,2,6-trifluoro-1,3-benzodioxole

C7H2ClF3O2 — CID 118501400

IUPAC5-chloro-2,2,6-trifluoro-1,3-benzodioxole
SMILESFc1cc2c(cc1Cl)OC(F)(F)O2
InChIInChI=1S/C7H2ClF3O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKeyWIOFPDNCCIAVSP-UHFFFAOYSA-N
MW210.54 g/mol
LogP2.80
Rot. Bonds

About 5-chloro-2,2,6-trifluoro-1,3-benzodioxole

5-chloro-2,2,6-trifluoro-1,3-benzodioxole (PubChem CID 118501400) has the molecular formula C7H2ClF3O2 and a molecular weight of 210.54 g/mol. Its IUPAC name is 5-chloro-2,2,6-trifluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-chloro-2,2,6-trifluoro-1,3-benzodioxole
PubChem CID118501400
Molecular FormulaC7H2ClF3O2
Molecular Weight210.54 g/mol
Exact Mass209.97
IUPAC Name5-chloro-2,2,6-trifluoro-1,3-benzodioxole
SMILESFc1cc2c(cc1Cl)OC(F)(F)O2
InChIInChI=1S/C7H2ClF3O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKeyWIOFPDNCCIAVSP-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,6-trifluoro-1,3-benzodioxole?
The IUPAC name of 5-chloro-2,2,6-trifluoro-1,3-benzodioxole (CID 118501400) is 5-chloro-2,2,6-trifluoro-1,3-benzodioxole.
What is the SMILES notation for 5-chloro-2,2,6-trifluoro-1,3-benzodioxole?
The canonical SMILES for 5-chloro-2,2,6-trifluoro-1,3-benzodioxole is Fc1cc2c(cc1Cl)OC(F)(F)O2.
What is the InChIKey of 5-chloro-2,2,6-trifluoro-1,3-benzodioxole?
The InChIKey is WIOFPDNCCIAVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H.
What are the key properties of 5-chloro-2,2,6-trifluoro-1,3-benzodioxole?
5-chloro-2,2,6-trifluoro-1,3-benzodioxole has a molecular weight of 210.54 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,6-trifluoro-1,3-benzodioxole is sourced from PubChem (CID 118501400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).