3-fluoro-2,2-dimethyloxirane

C4H7FO — CID 141287944

IUPAC3-fluoro-2,2-dimethyloxirane
SMILESCC1(C)OC1F
InChIInChI=1S/C4H7FO/c1-4(2)3(5)6-4/h3H,1-2H3
InChIKeySCTCCDHOQOIQSM-UHFFFAOYSA-N
MW90.10 g/mol
LogP1.09
Rot. Bonds

About 3-fluoro-2,2-dimethyloxirane

3-fluoro-2,2-dimethyloxirane (PubChem CID 141287944) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyloxirane
PubChem CID141287944
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name3-fluoro-2,2-dimethyloxirane
SMILESCC1(C)OC1F
InChIInChI=1S/C4H7FO/c1-4(2)3(5)6-4/h3H,1-2H3
InChIKeySCTCCDHOQOIQSM-UHFFFAOYSA-N
XLogP1.09
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-fluoro-2,2-dimethyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isobutylene oxide
CID 11208
2-Methyl-2-(trifluoromethyl)oxirane
CID 13620760
2-(Difluoromethyl)-2-methyloxirane
CID 137838565
(2S)-2-methyl-2-(trifluoromethyl)oxirane
CID 11815866
2-(Fluoromethyl)-2-methyloxirane
CID 19806445
2-Fluoro-2-methyloxirane
CID 20580032
(R)-2-methyl-2-(trifluoromethyl)oxirane
CID 86702279
2,2-Bis(fluoromethyl)oxirane
CID 89889063
2-Ethyl-2-(fluoromethyl)oxirane
CID 126514113
2-(2-Fluoroethyl)-2-methyloxirane
CID 140020143
2-Ethyl-3-fluoro-2-methyloxirane
CID 141287945
Ethane;2-methyl-2-(trifluoromethyl)oxirane
CID 178831563

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyloxirane?
The IUPAC name of 3-fluoro-2,2-dimethyloxirane (CID 141287944) is 3-fluoro-2,2-dimethyloxirane.
What is the SMILES notation for 3-fluoro-2,2-dimethyloxirane?
The canonical SMILES for 3-fluoro-2,2-dimethyloxirane is CC1(C)OC1F.
What is the InChIKey of 3-fluoro-2,2-dimethyloxirane?
The InChIKey is SCTCCDHOQOIQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-4(2)3(5)6-4/h3H,1-2H3.
What are the key properties of 3-fluoro-2,2-dimethyloxirane?
3-fluoro-2,2-dimethyloxirane has a molecular weight of 90.10 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyloxirane is sourced from PubChem (CID 141287944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).