6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride

C9H11ClFNO2 — CID 67416939

IUPAC6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
SMILESCNc1cc(F)cc2c1OCOC2.Cl
InChIInChI=1S/C9H10FNO2.ClH/c1-11-8-3-7(10)2-6-4-12-5-13-9(6)8;/h2-3,11H,4-5H2,1H3;1H
InChIKeyBDJBPUYPFMGYEO-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.16
Rot. Bonds1

About 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride

6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride (PubChem CID 67416939) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
PubChem CID67416939
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
SMILESCNc1cc(F)cc2c1OCOC2.Cl
InChIInChI=1S/C9H10FNO2.ClH/c1-11-8-3-7(10)2-6-4-12-5-13-9(6)8;/h2-3,11H,4-5H2,1H3;1H
InChIKeyBDJBPUYPFMGYEO-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride?
The IUPAC name of 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride (CID 67416939) is 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride?
The canonical SMILES for 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride is CNc1cc(F)cc2c1OCOC2.Cl.
What is the InChIKey of 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride?
The InChIKey is BDJBPUYPFMGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2.ClH/c1-11-8-3-7(10)2-6-4-12-5-13-9(6)8;/h2-3,11H,4-5H2,1H3;1H.
What are the key properties of 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride?
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride has a molecular weight of 219.64 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride is sourced from PubChem (CID 67416939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).