2-ethyl-4-fluoro-2-methyl-1,3-dioxole

C6H9FO2 — CID 58637698

IUPAC2-ethyl-4-fluoro-2-methyl-1,3-dioxole
SMILESCCC1(C)OC=C(F)O1
InChIInChI=1S/C6H9FO2/c1-3-6(2)8-4-5(7)9-6/h4H,3H2,1-2H3
InChIKeyODYHRZGNKQDBKF-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.93
Rot. Bonds1

About 2-ethyl-4-fluoro-2-methyl-1,3-dioxole

2-ethyl-4-fluoro-2-methyl-1,3-dioxole (PubChem CID 58637698) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-2-methyl-1,3-dioxole.

Molecular Properties

Compound Name2-ethyl-4-fluoro-2-methyl-1,3-dioxole
PubChem CID58637698
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name2-ethyl-4-fluoro-2-methyl-1,3-dioxole
SMILESCCC1(C)OC=C(F)O1
InChIInChI=1S/C6H9FO2/c1-3-6(2)8-4-5(7)9-6/h4H,3H2,1-2H3
InChIKeyODYHRZGNKQDBKF-UHFFFAOYSA-N
XLogP1.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-2-methyl-1,3-dioxole?
The IUPAC name of 2-ethyl-4-fluoro-2-methyl-1,3-dioxole (CID 58637698) is 2-ethyl-4-fluoro-2-methyl-1,3-dioxole.
What is the SMILES notation for 2-ethyl-4-fluoro-2-methyl-1,3-dioxole?
The canonical SMILES for 2-ethyl-4-fluoro-2-methyl-1,3-dioxole is CCC1(C)OC=C(F)O1.
What is the InChIKey of 2-ethyl-4-fluoro-2-methyl-1,3-dioxole?
The InChIKey is ODYHRZGNKQDBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-6(2)8-4-5(7)9-6/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-fluoro-2-methyl-1,3-dioxole?
2-ethyl-4-fluoro-2-methyl-1,3-dioxole has a molecular weight of 132.13 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-2-methyl-1,3-dioxole is sourced from PubChem (CID 58637698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).