2-fluoro-3-methyloxirane

C3H5FO — CID 91091961

IUPAC2-fluoro-3-methyloxirane
SMILESCC1OC1F
InChIInChI=1S/C3H5FO/c1-2-3(4)5-2/h2-3H,1H3
InChIKeyJLAHXQDOYAFIGZ-UHFFFAOYSA-N
MW76.07 g/mol
LogP0.70
Rot. Bonds

About 2-fluoro-3-methyloxirane

2-fluoro-3-methyloxirane (PubChem CID 91091961) has the molecular formula C3H5FO and a molecular weight of 76.07 g/mol. Its IUPAC name is 2-fluoro-3-methyloxirane.

Molecular Properties

Compound Name2-fluoro-3-methyloxirane
PubChem CID91091961
Molecular FormulaC3H5FO
Molecular Weight76.07 g/mol
Exact Mass76.03
IUPAC Name2-fluoro-3-methyloxirane
SMILESCC1OC1F
InChIInChI=1S/C3H5FO/c1-2-3(4)5-2/h2-3H,1H3
InChIKeyJLAHXQDOYAFIGZ-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

Propylene Oxide
CID 6378
1,2-Epoxy-3-fluoropropane
CID 10418
(R)-1,2-Epoxypropane
CID 146261
(2S)-2-Methyloxirane
CID 146262
(2S)-2-(Fluoromethyl)oxirane
CID 6999953
(+/-)-1,2-Propylene-d6 Oxide
CID 16212941
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
Hcl propylene oxide
CID 132280859

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyloxirane?
The IUPAC name of 2-fluoro-3-methyloxirane (CID 91091961) is 2-fluoro-3-methyloxirane.
What is the SMILES notation for 2-fluoro-3-methyloxirane?
The canonical SMILES for 2-fluoro-3-methyloxirane is CC1OC1F.
What is the InChIKey of 2-fluoro-3-methyloxirane?
The InChIKey is JLAHXQDOYAFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO/c1-2-3(4)5-2/h2-3H,1H3.
What are the key properties of 2-fluoro-3-methyloxirane?
2-fluoro-3-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-3-methyloxirane is sourced from PubChem (CID 91091961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).