6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine

C6H9FO2 — CID 58403476

IUPAC6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine
SMILESCC1=C(F)OC(C)CO1
InChIInChI=1S/C6H9FO2/c1-4-3-8-5(2)6(7)9-4/h4H,3H2,1-2H3
InChIKeyHEJFQGBQDYLPHA-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.58
Rot. Bonds

About 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine

6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine (PubChem CID 58403476) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine
PubChem CID58403476
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine
SMILESCC1=C(F)OC(C)CO1
InChIInChI=1S/C6H9FO2/c1-4-3-8-5(2)6(7)9-4/h4H,3H2,1-2H3
InChIKeyHEJFQGBQDYLPHA-UHFFFAOYSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine?
The IUPAC name of 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine (CID 58403476) is 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine is CC1=C(F)OC(C)CO1.
What is the InChIKey of 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine?
The InChIKey is HEJFQGBQDYLPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-4-3-8-5(2)6(7)9-4/h4H,3H2,1-2H3.
What are the key properties of 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine?
6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine has a molecular weight of 132.13 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5-dimethyl-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 58403476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).