6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine

C9H11FO2 — CID 89260523

IUPAC6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine
SMILESCC1CC(F)=CC2=C1OCOC2
InChIInChI=1S/C9H11FO2/c1-6-2-8(10)3-7-4-11-5-12-9(6)7/h3,6H,2,4-5H2,1H3
InChIKeyMQNPBLVSFBGBGY-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.14
Rot. Bonds

About 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine

6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine (PubChem CID 89260523) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine
PubChem CID89260523
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine
SMILESCC1CC(F)=CC2=C1OCOC2
InChIInChI=1S/C9H11FO2/c1-6-2-8(10)3-7-4-11-5-12-9(6)7/h3,6H,2,4-5H2,1H3
InChIKeyMQNPBLVSFBGBGY-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine?
The IUPAC name of 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine (CID 89260523) is 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine.
What is the SMILES notation for 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine?
The canonical SMILES for 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine is CC1CC(F)=CC2=C1OCOC2.
What is the InChIKey of 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine?
The InChIKey is MQNPBLVSFBGBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-6-2-8(10)3-7-4-11-5-12-9(6)7/h3,6H,2,4-5H2,1H3.
What are the key properties of 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine?
6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine has a molecular weight of 170.18 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine is sourced from PubChem (CID 89260523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).