3-ethyl-3-fluorooxetane

C5H9FO — CID 118320287

IUPAC3-ethyl-3-fluorooxetane
SMILESCCC1(F)COC1
InChIInChI=1S/C5H9FO/c1-2-5(6)3-7-4-5/h2-4H2,1H3
InChIKeyGRPHXQZBCBGEDA-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.13
Rot. Bonds1

About 3-ethyl-3-fluorooxetane

3-ethyl-3-fluorooxetane (PubChem CID 118320287) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 3-ethyl-3-fluorooxetane.

Molecular Properties

Compound Name3-ethyl-3-fluorooxetane
PubChem CID118320287
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name3-ethyl-3-fluorooxetane
SMILESCCC1(F)COC1
InChIInChI=1S/C5H9FO/c1-2-5(6)3-7-4-5/h2-4H2,1H3
InChIKeyGRPHXQZBCBGEDA-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-2,2-dimethyloxetane
CID 22407631
3-Fluoro-3-propan-2-yloxetane
CID 58222496
1,2-Difluoro-2-(fluoromethoxymethyl)butane
CID 58587214
CID 59530168
CID 59530168
4-Fluoro-1-methoxy-2-methylbutane
CID 59592536
1-(Fluoromethoxy)-2-methylbutane
CID 59716050
3-Fluoro-3-methyloxetane
CID 60055094
(2S)-1-(fluoromethoxy)-2-methylbutane
CID 89017557
3-(Fluoromethyl)-3-methyloxetane
CID 89526427
3-Ethyl-3-(fluoromethyl)oxetane
CID 117956424
3-Tert-butyl-3-fluorooxetane
CID 122426797
3-Ethyl-2,2-difluorooxetane
CID 129023585

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-fluorooxetane?
The IUPAC name of 3-ethyl-3-fluorooxetane (CID 118320287) is 3-ethyl-3-fluorooxetane.
What is the SMILES notation for 3-ethyl-3-fluorooxetane?
The canonical SMILES for 3-ethyl-3-fluorooxetane is CCC1(F)COC1.
What is the InChIKey of 3-ethyl-3-fluorooxetane?
The InChIKey is GRPHXQZBCBGEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-2-5(6)3-7-4-5/h2-4H2,1H3.
What are the key properties of 3-ethyl-3-fluorooxetane?
3-ethyl-3-fluorooxetane has a molecular weight of 104.12 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-fluorooxetane is sourced from PubChem (CID 118320287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).