2-(fluoromethyl)oxirane

C3H5FO — CID 10418

IUPAC2-(fluoromethyl)oxirane
SMILESFCC1CO1
InChIInChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2
InChIKeyOIFAHDAXIUURLN-UHFFFAOYSA-N
MW76.07 g/mol
LogP0.35
Rot. Bonds1

About 2-(fluoromethyl)oxirane

2-(fluoromethyl)oxirane (PubChem CID 10418) has the molecular formula C3H5FO and a molecular weight of 76.07 g/mol. Its IUPAC name is 2-(fluoromethyl)oxirane.

Molecular Properties

Compound Name2-(fluoromethyl)oxirane
PubChem CID10418
Molecular FormulaC3H5FO
Molecular Weight76.07 g/mol
Exact Mass76.03
IUPAC Name2-(fluoromethyl)oxirane
SMILESFCC1CO1
InChIInChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2
InChIKeyOIFAHDAXIUURLN-UHFFFAOYSA-N
XLogP0.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 50.35
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-(Trifluoromethyl)oxirane
CID 520769
(2S)-2-(Fluoromethyl)oxirane
CID 6999953
(2R)-2-(trifluoromethyl)oxirane
CID 7016923
(2S)-2-(Trifluoromethyl)oxirane
CID 7171781
2-(Difluoromethyl)oxirane
CID 86215874
(R)-2-(Fluoromethyl)oxirane
CID 6992623
(R)-2-(Difluoromethyl)oxirane
CID 137958538
(2S)-2-(difluoromethyl)oxirane
CID 140883492
2-((18F)fluoromethyl)oxirane
CID 12603404
2-(1-Fluoroethyl)oxirane
CID 14364405
2-Fluoro-2-methyloxirane
CID 20580032
2,2-Difluoro-3-(fluoromethyl)oxirane
CID 20778330

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)oxirane?
The IUPAC name of 2-(fluoromethyl)oxirane (CID 10418) is 2-(fluoromethyl)oxirane.
What is the SMILES notation for 2-(fluoromethyl)oxirane?
The canonical SMILES for 2-(fluoromethyl)oxirane is FCC1CO1.
What is the InChIKey of 2-(fluoromethyl)oxirane?
The InChIKey is OIFAHDAXIUURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2.
What are the key properties of 2-(fluoromethyl)oxirane?
2-(fluoromethyl)oxirane has a molecular weight of 76.07 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)oxirane is sourced from PubChem (CID 10418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).