2-(fluoromethyl)-3-methyloxirane

C4H7FO — CID 90751254

IUPAC2-(fluoromethyl)-3-methyloxirane
SMILESCC1OC1CF
InChIInChI=1S/C4H7FO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3
InChIKeySSSDNSPUNGBEKR-UHFFFAOYSA-N
MW90.10 g/mol
LogP0.74
Rot. Bonds1

About 2-(fluoromethyl)-3-methyloxirane

2-(fluoromethyl)-3-methyloxirane (PubChem CID 90751254) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(fluoromethyl)-3-methyloxirane
PubChem CID90751254
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name2-(fluoromethyl)-3-methyloxirane
SMILESCC1OC1CF
InChIInChI=1S/C4H7FO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3
InChIKeySSSDNSPUNGBEKR-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

2-Butylene oxide
CID 18632
1,2-Epoxy-3-fluoropropane
CID 10418
trans-2,3-Dimethyloxirane
CID 30664
cis-2,3-Epoxybutane
CID 92162
(2S)-2-(Fluoromethyl)oxirane
CID 6999953
trans-2R,3R-epoxybutane
CID 6432237
(R)-2-(Fluoromethyl)oxirane
CID 6992623
(2S)-2,3-dimethyloxirane
CID 23617967
2-((18F)fluoromethyl)oxirane
CID 12603404
(2R)-2,3-dimethyloxirane
CID 59036999
1,1,1-Trifluoro-2,3-epoxybutane
CID 2777109
2-(1-Fluoroethyl)oxirane
CID 14364405

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-methyloxirane?
The IUPAC name of 2-(fluoromethyl)-3-methyloxirane (CID 90751254) is 2-(fluoromethyl)-3-methyloxirane.
What is the SMILES notation for 2-(fluoromethyl)-3-methyloxirane?
The canonical SMILES for 2-(fluoromethyl)-3-methyloxirane is CC1OC1CF.
What is the InChIKey of 2-(fluoromethyl)-3-methyloxirane?
The InChIKey is SSSDNSPUNGBEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3.
What are the key properties of 2-(fluoromethyl)-3-methyloxirane?
2-(fluoromethyl)-3-methyloxirane 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-(fluoromethyl)-3-methyloxirane is sourced from PubChem (CID 90751254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).