2-((18F)fluoromethyl)oxirane

C3H5FO — CID 12603404

IUPAC2-((18F)fluoromethyl)oxirane
SMILES[18F]CC1CO1
InChIInChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2/i4-1
InChIKeyOIFAHDAXIUURLN-NUTRPMROSA-N
MW75.07 g/mol
LogP0.35
Rot. Bonds1

About 2-((18F)fluoromethyl)oxirane

2-((18F)fluoromethyl)oxirane (PubChem CID 12603404) has the molecular formula C3H5FO and a molecular weight of 75.07 g/mol. Its IUPAC name is 2-((18F)fluoromethyl)oxirane.

Molecular Properties

Compound Name2-((18F)fluoromethyl)oxirane
PubChem CID12603404
Molecular FormulaC3H5FO
Molecular Weight75.07 g/mol
Exact Mass75.03
IUPAC Name2-((18F)fluoromethyl)oxirane
SMILES[18F]CC1CO1
InChIInChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2/i4-1
InChIKeyOIFAHDAXIUURLN-NUTRPMROSA-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 ≤ 50075.07
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

1,2-Epoxy-3-fluoropropane
CID 10418
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-(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-((18F)fluoromethyl)oxirane?
The IUPAC name of 2-((18F)fluoromethyl)oxirane (CID 12603404) is 2-((18F)fluoromethyl)oxirane.
What is the SMILES notation for 2-((18F)fluoromethyl)oxirane?
The canonical SMILES for 2-((18F)fluoromethyl)oxirane is [18F]CC1CO1.
What is the InChIKey of 2-((18F)fluoromethyl)oxirane?
The InChIKey is OIFAHDAXIUURLN-NUTRPMROSA-N. The full InChI is InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2/i4-1.
What are the key properties of 2-((18F)fluoromethyl)oxirane?
2-((18F)fluoromethyl)oxirane has a molecular weight of 75.07 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-((18F)fluoromethyl)oxirane is sourced from PubChem (CID 12603404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).