2-fluoro-3a,4-dihydro-1,3-benzodioxole

C7H7FO2 — CID 172845695

IUPAC2-fluoro-3a,4-dihydro-1,3-benzodioxole
SMILESFC1OC2=CC=CCC2O1
InChIInChI=1S/C7H7FO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-3,6-7H,4H2
InChIKeyXJRATHYWVDDGBA-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.50
Rot. Bonds

About 2-fluoro-3a,4-dihydro-1,3-benzodioxole

2-fluoro-3a,4-dihydro-1,3-benzodioxole (PubChem CID 172845695) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is 2-fluoro-3a,4-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name2-fluoro-3a,4-dihydro-1,3-benzodioxole
PubChem CID172845695
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Name2-fluoro-3a,4-dihydro-1,3-benzodioxole
SMILESFC1OC2=CC=CCC2O1
InChIInChI=1S/C7H7FO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-3,6-7H,4H2
InChIKeyXJRATHYWVDDGBA-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3a,4-dihydro-1,3-benzodioxole?
The IUPAC name of 2-fluoro-3a,4-dihydro-1,3-benzodioxole (CID 172845695) is 2-fluoro-3a,4-dihydro-1,3-benzodioxole.
What is the SMILES notation for 2-fluoro-3a,4-dihydro-1,3-benzodioxole?
The canonical SMILES for 2-fluoro-3a,4-dihydro-1,3-benzodioxole is FC1OC2=CC=CCC2O1.
What is the InChIKey of 2-fluoro-3a,4-dihydro-1,3-benzodioxole?
The InChIKey is XJRATHYWVDDGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-3,6-7H,4H2.
What are the key properties of 2-fluoro-3a,4-dihydro-1,3-benzodioxole?
2-fluoro-3a,4-dihydro-1,3-benzodioxole has a molecular weight of 142.13 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3a,4-dihydro-1,3-benzodioxole is sourced from PubChem (CID 172845695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).