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

C7H3ClF2O2 — CID 15767259

IUPAC4-chloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2cccc(Cl)c2O1
InChIInChI=1S/C7H3ClF2O2/c8-4-2-1-3-5-6(4)12-7(9,10)11-5/h1-3H
InChIKeyHYRYIXPXXZPGTJ-UHFFFAOYSA-N
MW192.55 g/mol
LogP2.66
Rot. Bonds

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

4-chloro-2,2-difluoro-1,3-benzodioxole (PubChem CID 15767259) has the molecular formula C7H3ClF2O2 and a molecular weight of 192.55 g/mol. Its IUPAC name is 4-chloro-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name4-chloro-2,2-difluoro-1,3-benzodioxole
PubChem CID15767259
Molecular FormulaC7H3ClF2O2
Molecular Weight192.55 g/mol
Exact Mass191.98
IUPAC Name4-chloro-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2cccc(Cl)c2O1
InChIInChI=1S/C7H3ClF2O2/c8-4-2-1-3-5-6(4)12-7(9,10)11-5/h1-3H
InChIKeyHYRYIXPXXZPGTJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 4-chloro-2,2-difluoro-1,3-benzodioxole (CID 15767259) is 4-chloro-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 4-chloro-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 4-chloro-2,2-difluoro-1,3-benzodioxole is FC1(F)Oc2cccc(Cl)c2O1.
What is the InChIKey of 4-chloro-2,2-difluoro-1,3-benzodioxole?
The InChIKey is HYRYIXPXXZPGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2O2/c8-4-2-1-3-5-6(4)12-7(9,10)11-5/h1-3H.
What are the key properties of 4-chloro-2,2-difluoro-1,3-benzodioxole?
4-chloro-2,2-difluoro-1,3-benzodioxole has a molecular weight of 192.55 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 15767259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).