2-(1-fluoroethyl)oxirane

C4H7FO — CID 14364405

IUPAC2-(1-fluoroethyl)oxirane
SMILESCC(F)C1CO1
InChIInChI=1S/C4H7FO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3
InChIKeySFYPZBAGHUZBTH-UHFFFAOYSA-N
MW90.10 g/mol
LogP0.74
Rot. Bonds1

About 2-(1-fluoroethyl)oxirane

2-(1-fluoroethyl)oxirane (PubChem CID 14364405) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 2-(1-fluoroethyl)oxirane.

Molecular Properties

Compound Name2-(1-fluoroethyl)oxirane
PubChem CID14364405
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name2-(1-fluoroethyl)oxirane
SMILESCC(F)C1CO1
InChIInChI=1S/C4H7FO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3
InChIKeySFYPZBAGHUZBTH-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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)-3-methyloxirane
CID 14364411
2-(1-Fluoropropyl)oxirane
CID 20224821

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)oxirane?
The IUPAC name of 2-(1-fluoroethyl)oxirane (CID 14364405) is 2-(1-fluoroethyl)oxirane.
What is the SMILES notation for 2-(1-fluoroethyl)oxirane?
The canonical SMILES for 2-(1-fluoroethyl)oxirane is CC(F)C1CO1.
What is the InChIKey of 2-(1-fluoroethyl)oxirane?
The InChIKey is SFYPZBAGHUZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3.
What are the key properties of 2-(1-fluoroethyl)oxirane?
2-(1-fluoroethyl)oxirane has a molecular weight of 90.10 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)oxirane is sourced from PubChem (CID 14364405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).