2-ethyl-3-fluoro-2-methyloxirane

C5H9FO — CID 141287945

IUPAC2-ethyl-3-fluoro-2-methyloxirane
SMILESCCC1(C)OC1F
InChIInChI=1S/C5H9FO/c1-3-5(2)4(6)7-5/h4H,3H2,1-2H3
InChIKeyDZBNREFMPJEFIT-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.48
Rot. Bonds1

About 2-ethyl-3-fluoro-2-methyloxirane

2-ethyl-3-fluoro-2-methyloxirane (PubChem CID 141287945) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-2-methyloxirane.

Molecular Properties

Compound Name2-ethyl-3-fluoro-2-methyloxirane
PubChem CID141287945
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name2-ethyl-3-fluoro-2-methyloxirane
SMILESCCC1(C)OC1F
InChIInChI=1S/C5H9FO/c1-3-5(2)4(6)7-5/h4H,3H2,1-2H3
InChIKeyDZBNREFMPJEFIT-UHFFFAOYSA-N
XLogP1.48
TPSA12.53 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 ≤ 51.48
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

2-Ethyl-2-methyloxirane
CID 121763
2-Methyl-2-(pentafluoroethyl)oxirane
CID 88673440
2-(2-Fluoropropan-2-yl)oxirane
CID 14364415
2-Ethyl-2-(trifluoromethyl)oxirane
CID 23233498
2-(Propan-2-yl)-2-(trifluoromethyl)oxirane
CID 138040452
(s)-2-Ethyl-2-methyloxirane
CID 7832547
2-Methyl-2-(1,1,2,2-tetrafluoroethyl)oxirane
CID 12561589
2-Tert-butyl-3-fluorooxirane
CID 12602083
2-Tert-butyl-2,3-difluorooxirane
CID 12634313
2-Methyl-2-(2,2,2-trifluoroethyl)oxirane
CID 14985017
2,2-Bis(1-fluoroethyl)oxirane
CID 18512428
2-(Fluoromethyl)-2-methyloxirane
CID 19806445

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-2-methyloxirane?
The IUPAC name of 2-ethyl-3-fluoro-2-methyloxirane (CID 141287945) is 2-ethyl-3-fluoro-2-methyloxirane.
What is the SMILES notation for 2-ethyl-3-fluoro-2-methyloxirane?
The canonical SMILES for 2-ethyl-3-fluoro-2-methyloxirane is CCC1(C)OC1F.
What is the InChIKey of 2-ethyl-3-fluoro-2-methyloxirane?
The InChIKey is DZBNREFMPJEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-3-5(2)4(6)7-5/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-fluoro-2-methyloxirane?
2-ethyl-3-fluoro-2-methyloxirane has a molecular weight of 104.12 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-2-methyloxirane is sourced from PubChem (CID 141287945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).