6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine

C5H7FO2 — CID 58403478

IUPAC6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine
SMILESCC1COC=C(F)O1
InChIInChI=1S/C5H7FO2/c1-4-2-7-3-5(6)8-4/h3-4H,2H2,1H3
InChIKeyASHJGUGJRAFVFS-UHFFFAOYSA-N
MW118.11 g/mol
LogP1.19
Rot. Bonds

About 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine

6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine (PubChem CID 58403478) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine
PubChem CID58403478
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine
SMILESCC1COC=C(F)O1
InChIInChI=1S/C5H7FO2/c1-4-2-7-3-5(6)8-4/h3-4H,2H2,1H3
InChIKeyASHJGUGJRAFVFS-UHFFFAOYSA-N
XLogP1.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2,3-dihydro-1,4-dioxine
CID 13977927
2-(Fluoromethyl)-2,3-dihydro-1,4-dioxine
CID 22917889
2,3,6-trifluoro-3-methyl-2H-1,4-dioxine
CID 142648407
2,2,3-Trifluoro-3-methyl-1,4-dioxine
CID 142648430
2-Ethoxy-1-(2-fluoroethenoxy)propane
CID 175922757
2-(Trifluoromethyl)-2,3-dihydro-1,4-dioxine
CID 154100833
2,3-Dimethyl-2,3-dihydro-1,4-dioxine
CID 13597124
(2R)-2-methyl-2,3-dihydro-1,4-dioxine
CID 15308973
CID 58403477
CID 58403477
(2R,3R)-2,3-dimethyl-2,3-dihydro-1,4-dioxine
CID 13597126

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine?
The IUPAC name of 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine (CID 58403478) is 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine is CC1COC=C(F)O1.
What is the InChIKey of 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine?
The InChIKey is ASHJGUGJRAFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-4-2-7-3-5(6)8-4/h3-4H,2H2,1H3.
What are the key properties of 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine?
6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine has a molecular weight of 118.11 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 58403478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).