5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine

C9H9FO2 — CID 70302520

IUPAC5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCC1COc2c(F)cccc2O1
InChIInChI=1S/C9H9FO2/c1-6-5-11-9-7(10)3-2-4-8(9)12-6/h2-4,6H,5H2,1H3
InChIKeyDLDIXAXUJSTMQE-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.99
Rot. Bonds

About 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine

5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 70302520) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
PubChem CID70302520
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCC1COc2c(F)cccc2O1
InChIInChI=1S/C9H9FO2/c1-6-5-11-9-7(10)3-2-4-8(9)12-6/h2-4,6H,5H2,1H3
InChIKeyDLDIXAXUJSTMQE-UHFFFAOYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine (CID 70302520) is 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine is CC1COc2c(F)cccc2O1.
What is the InChIKey of 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is DLDIXAXUJSTMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6-5-11-9-7(10)3-2-4-8(9)12-6/h2-4,6H,5H2,1H3.
What are the key properties of 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine?
5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 168.17 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 70302520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).