2-ethyl-3-fluorooxirane

C4H7FO — CID 23067826

IUPAC2-ethyl-3-fluorooxirane
SMILESCCC1OC1F
InChIInChI=1S/C4H7FO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3
InChIKeyQHXQHFVRVKNWTR-UHFFFAOYSA-N
MW90.10 g/mol
LogP1.09
Rot. Bonds1

About 2-ethyl-3-fluorooxirane

2-ethyl-3-fluorooxirane (PubChem CID 23067826) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 2-ethyl-3-fluorooxirane.

Molecular Properties

Compound Name2-ethyl-3-fluorooxirane
PubChem CID23067826
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name2-ethyl-3-fluorooxirane
SMILESCCC1OC1F
InChIInChI=1S/C4H7FO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3
InChIKeyQHXQHFVRVKNWTR-UHFFFAOYSA-N
XLogP1.09
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-Epoxybutane
CID 7834
1,2-Epoxy-3-fluoropropane
CID 10418
(2R)-2-Ethyloxirane
CID 11147670
(2S)-2-(Fluoromethyl)oxirane
CID 6999953
(2S)-2-Ethyloxirane
CID 10898629
2-(2,2,2-Trifluoroethyl)oxirane
CID 2782635
(R)-2-(Fluoromethyl)oxirane
CID 6992623
(2R)-2-(2,2,2-Trifluoroethyl)oxirane
CID 7016903
2-(2-Fluoropropan-2-yl)oxirane
CID 14364415
2-((18F)fluoromethyl)oxirane
CID 12603404
2-(1-Fluoroethyl)oxirane
CID 14364405
2-(1-Fluoroethyl)-3-methyloxirane
CID 14364411

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluorooxirane?
The IUPAC name of 2-ethyl-3-fluorooxirane (CID 23067826) is 2-ethyl-3-fluorooxirane.
What is the SMILES notation for 2-ethyl-3-fluorooxirane?
The canonical SMILES for 2-ethyl-3-fluorooxirane is CCC1OC1F.
What is the InChIKey of 2-ethyl-3-fluorooxirane?
The InChIKey is QHXQHFVRVKNWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-3-fluorooxirane?
2-ethyl-3-fluorooxirane has a molecular weight of 90.10 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluorooxirane is sourced from PubChem (CID 23067826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).