2-fluoro-2-methyloxirane

C3H5FO — CID 20580032

IUPAC2-fluoro-2-methyloxirane
SMILESCC1(F)CO1
InChIInChI=1S/C3H5FO/c1-3(4)2-5-3/h2H2,1H3
InChIKeyVXRITABYMRHGKZ-UHFFFAOYSA-N
MW76.07 g/mol
LogP0.70
Rot. Bonds

About 2-fluoro-2-methyloxirane

2-fluoro-2-methyloxirane (PubChem CID 20580032) has the molecular formula C3H5FO and a molecular weight of 76.07 g/mol. Its IUPAC name is 2-fluoro-2-methyloxirane.

Molecular Properties

Compound Name2-fluoro-2-methyloxirane
PubChem CID20580032
Molecular FormulaC3H5FO
Molecular Weight76.07 g/mol
Exact Mass76.03
IUPAC Name2-fluoro-2-methyloxirane
SMILESCC1(F)CO1
InChIInChI=1S/C3H5FO/c1-3(4)2-5-3/h2H2,1H3
InChIKeyVXRITABYMRHGKZ-UHFFFAOYSA-N
XLogP0.70
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 50.70
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
(2S)-2-(Fluoromethyl)oxirane
CID 6999953
(R)-2-(Fluoromethyl)oxirane
CID 6992623
2-((18F)fluoromethyl)oxirane
CID 12603404
2-(1-Fluoroethyl)oxirane
CID 14364405
2-(Fluoromethyl)-2-methyloxirane
CID 19806445
2,2-Difluoro-3-methyloxirane
CID 22094289
2-Ethyl-3-fluorooxirane
CID 23067826
2-Fluoro-3-(fluoromethyl)oxirane
CID 57641123
2-Fluoro-2,3-dimethyloxirane
CID 58913822
2-(Fluoromethyl)-3-methyloxirane
CID 90751254
2-Fluoro-3-methyloxirane
CID 91091961

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyloxirane?
The IUPAC name of 2-fluoro-2-methyloxirane (CID 20580032) is 2-fluoro-2-methyloxirane.
What is the SMILES notation for 2-fluoro-2-methyloxirane?
The canonical SMILES for 2-fluoro-2-methyloxirane is CC1(F)CO1.
What is the InChIKey of 2-fluoro-2-methyloxirane?
The InChIKey is VXRITABYMRHGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO/c1-3(4)2-5-3/h2H2,1H3.
What are the key properties of 2-fluoro-2-methyloxirane?
2-fluoro-2-methyloxirane has a molecular weight of 76.07 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyloxirane is sourced from PubChem (CID 20580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).