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

C7H4ClFO2 — CID 54087979

IUPAC4-chloro-2-fluoro-1,3-benzodioxole
SMILESFC1Oc2cccc(Cl)c2O1
InChIInChI=1S/C7H4ClFO2/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3,7H
InChIKeyMRVDYSXPMNUKOK-UHFFFAOYSA-N
MW174.56 g/mol
LogP2.36
Rot. Bonds

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

4-chloro-2-fluoro-1,3-benzodioxole (PubChem CID 54087979) has the molecular formula C7H4ClFO2 and a molecular weight of 174.56 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1,3-benzodioxole.

Molecular Properties

Compound Name4-chloro-2-fluoro-1,3-benzodioxole
PubChem CID54087979
Molecular FormulaC7H4ClFO2
Molecular Weight174.56 g/mol
Exact Mass173.99
IUPAC Name4-chloro-2-fluoro-1,3-benzodioxole
SMILESFC1Oc2cccc(Cl)c2O1
InChIInChI=1S/C7H4ClFO2/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3,7H
InChIKeyMRVDYSXPMNUKOK-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.56
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1,3-benzodioxole?
The IUPAC name of 4-chloro-2-fluoro-1,3-benzodioxole (CID 54087979) is 4-chloro-2-fluoro-1,3-benzodioxole.
What is the SMILES notation for 4-chloro-2-fluoro-1,3-benzodioxole?
The canonical SMILES for 4-chloro-2-fluoro-1,3-benzodioxole is FC1Oc2cccc(Cl)c2O1.
What is the InChIKey of 4-chloro-2-fluoro-1,3-benzodioxole?
The InChIKey is MRVDYSXPMNUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO2/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3,7H.
What are the key properties of 4-chloro-2-fluoro-1,3-benzodioxole?
4-chloro-2-fluoro-1,3-benzodioxole has a molecular weight of 174.56 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1,3-benzodioxole is sourced from PubChem (CID 54087979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).