2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole

C7H6F2O2 — CID 122463919

IUPAC2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole
SMILESFC1(F)OC2C=CC=CC2O1
InChIInChI=1S/C7H6F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-6H
InChIKeyDRYJAKWDCPQTQU-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.45
Rot. Bonds

About 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole

2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole (PubChem CID 122463919) has the molecular formula C7H6F2O2 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole
PubChem CID122463919
Molecular FormulaC7H6F2O2
Molecular Weight160.12 g/mol
Exact Mass160.03
IUPAC Name2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole
SMILESFC1(F)OC2C=CC=CC2O1
InChIInChI=1S/C7H6F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-6H
InChIKeyDRYJAKWDCPQTQU-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole?
The IUPAC name of 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole (CID 122463919) is 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole.
What is the SMILES notation for 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole?
The canonical SMILES for 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole is FC1(F)OC2C=CC=CC2O1.
What is the InChIKey of 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole?
The InChIKey is DRYJAKWDCPQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-6H.
What are the key properties of 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole?
2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole has a molecular weight of 160.12 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3a,7a-dihydro-1,3-benzodioxole is sourced from PubChem (CID 122463919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).