3-ethyl-3-(fluoromethyl)dioxetane

C5H9FO2 — CID 174637535

IUPAC3-ethyl-3-(fluoromethyl)dioxetane
SMILESCCC1(CF)COO1
InChIInChI=1S/C5H9FO2/c1-2-5(3-6)4-7-8-5/h2-4H2,1H3
InChIKeySBAQYPBXZKMKGW-UHFFFAOYSA-N
MW120.12 g/mol
LogP1.07
Rot. Bonds2

About 3-ethyl-3-(fluoromethyl)dioxetane

3-ethyl-3-(fluoromethyl)dioxetane (PubChem CID 174637535) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is 3-ethyl-3-(fluoromethyl)dioxetane.

Molecular Properties

Compound Name3-ethyl-3-(fluoromethyl)dioxetane
PubChem CID174637535
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name3-ethyl-3-(fluoromethyl)dioxetane
SMILESCCC1(CF)COO1
InChIInChI=1S/C5H9FO2/c1-2-5(3-6)4-7-8-5/h2-4H2,1H3
InChIKeySBAQYPBXZKMKGW-UHFFFAOYSA-N
XLogP1.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3,3,4-Trimethyl-1,2-dioxetane
CID 98929
3-Ethyl-3-methyl-1,2-dioxetane
CID 12951313
3-Ethyl-3-methyl-4-tritiodioxetane;yttrium
CID 59776199
3,3-Diethyl-1,2-dioxetane
CID 71418701
3-Methyl-3-(propan-2-yl)-1,2-dioxetane
CID 12951314
3-Ethyl-3-methyl-4-tritiodioxetane
CID 59776200

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(fluoromethyl)dioxetane?
The IUPAC name of 3-ethyl-3-(fluoromethyl)dioxetane (CID 174637535) is 3-ethyl-3-(fluoromethyl)dioxetane.
What is the SMILES notation for 3-ethyl-3-(fluoromethyl)dioxetane?
The canonical SMILES for 3-ethyl-3-(fluoromethyl)dioxetane is CCC1(CF)COO1.
What is the InChIKey of 3-ethyl-3-(fluoromethyl)dioxetane?
The InChIKey is SBAQYPBXZKMKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2/c1-2-5(3-6)4-7-8-5/h2-4H2,1H3.
What are the key properties of 3-ethyl-3-(fluoromethyl)dioxetane?
3-ethyl-3-(fluoromethyl)dioxetane has a molecular weight of 120.12 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(fluoromethyl)dioxetane is sourced from PubChem (CID 174637535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).