2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole

C8H6F2O2 — CID 143656494

IUPAC2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole
SMILESFC1(F)OC2=CC3CC3C=C2O1
InChIInChI=1S/C8H6F2O2/c9-8(10)11-6-2-4-1-5(4)3-7(6)12-8/h2-5H,1H2
InChIKeyAGPYOZIXDLUWGY-UHFFFAOYSA-N
MW172.13 g/mol
LogP2.00
Rot. Bonds

About 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole

2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole (PubChem CID 143656494) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole
PubChem CID143656494
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole
SMILESFC1(F)OC2=CC3CC3C=C2O1
InChIInChI=1S/C8H6F2O2/c9-8(10)11-6-2-4-1-5(4)3-7(6)12-8/h2-5H,1H2
InChIKeyAGPYOZIXDLUWGY-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole?
The IUPAC name of 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole (CID 143656494) is 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole.
What is the SMILES notation for 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole?
The canonical SMILES for 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole is FC1(F)OC2=CC3CC3C=C2O1.
What is the InChIKey of 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole?
The InChIKey is AGPYOZIXDLUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-8(10)11-6-2-4-1-5(4)3-7(6)12-8/h2-5H,1H2.
What are the key properties of 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole?
2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole has a molecular weight of 172.13 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzodioxole is sourced from PubChem (CID 143656494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).