2-(1-fluoroethyl)-3-methyloxirane

C5H9FO — CID 14364411

IUPAC2-(1-fluoroethyl)-3-methyloxirane
SMILESCC(F)C1OC1C
InChIInChI=1S/C5H9FO/c1-3(6)5-4(2)7-5/h3-5H,1-2H3
InChIKeyIVNNSPWYDYTEOB-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.13
Rot. Bonds1

About 2-(1-fluoroethyl)-3-methyloxirane

2-(1-fluoroethyl)-3-methyloxirane (PubChem CID 14364411) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(1-fluoroethyl)-3-methyloxirane
PubChem CID14364411
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name2-(1-fluoroethyl)-3-methyloxirane
SMILESCC(F)C1OC1C
InChIInChI=1S/C5H9FO/c1-3(6)5-4(2)7-5/h3-5H,1-2H3
InChIKeyIVNNSPWYDYTEOB-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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-3-methyloxirane
CID 520554
2,3-Diethyloxirane
CID 138264
Oxirane, 2-ethyl-3-methyl-, trans-
CID 6427093
Oxirane, 2-ethyl-3-methyl-, cis-
CID 6427094
Ctk1B9474
CID 11768496
(2S,3S)-2-ethyl-3-methyloxirane
CID 13357413
Oxirane, 2,3-diethyl-, cis-
CID 10986164
(2S,3S)-2,3-diethyloxirane
CID 11018816
(2R,3R)-2,3-diethyloxirane
CID 12489447
2-(1-Fluoroethyl)oxirane
CID 14364405
2-(1-Fluoropropyl)oxirane
CID 20224821
2,3-Bis(1-fluoroethyl)oxirane
CID 21452226

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-3-methyloxirane?
The IUPAC name of 2-(1-fluoroethyl)-3-methyloxirane (CID 14364411) is 2-(1-fluoroethyl)-3-methyloxirane.
What is the SMILES notation for 2-(1-fluoroethyl)-3-methyloxirane?
The canonical SMILES for 2-(1-fluoroethyl)-3-methyloxirane is CC(F)C1OC1C.
What is the InChIKey of 2-(1-fluoroethyl)-3-methyloxirane?
The InChIKey is IVNNSPWYDYTEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-3(6)5-4(2)7-5/h3-5H,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-3-methyloxirane?
2-(1-fluoroethyl)-3-methyloxirane 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 2-(1-fluoroethyl)-3-methyloxirane is sourced from PubChem (CID 14364411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).