2-fluoro-3-methyl-2-prop-2-enyloxirane

C6H9FO — CID 88840223

IUPAC2-fluoro-3-methyl-2-prop-2-enyloxirane
SMILESC=CCC1(F)OC1C
InChIInChI=1S/C6H9FO/c1-3-4-6(7)5(2)8-6/h3,5H,1,4H2,2H3
InChIKeySXCAGRJIWYMKFP-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.65
Rot. Bonds2

About 2-fluoro-3-methyl-2-prop-2-enyloxirane

2-fluoro-3-methyl-2-prop-2-enyloxirane (PubChem CID 88840223) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-prop-2-enyloxirane.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-prop-2-enyloxirane
PubChem CID88840223
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-fluoro-3-methyl-2-prop-2-enyloxirane
SMILESC=CCC1(F)OC1C
InChIInChI=1S/C6H9FO/c1-3-4-6(7)5(2)8-6/h3,5H,1,4H2,2H3
InChIKeySXCAGRJIWYMKFP-UHFFFAOYSA-N
XLogP1.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-methyl-2-prop-2-enyloxirane 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

(2R)-2-prop-2-enyloxirane
CID 10582737
(s)-2-Allyloxirane
CID 10749136
2-Allyl-oxirane
CID 12659781
2-(1-Fluoroprop-2-enyl)oxirane
CID 87166229
2-Fluoro-2-prop-2-enyloxirane
CID 87166230
2-(2-Fluorobut-3-enyl)oxirane
CID 88162767
2-(1-Fluoroprop-2-enyl)-3-methyloxirane
CID 88840225
4-Ethoxy-4-fluoropent-1-ene
CID 123428444
2-(3-Fluoroprop-2-enyl)oxirane
CID 173021854
2-(4-Fluorobut-3-enyl)oxirane
CID 173259414
2-(3-Fluoroprop-2-enyl)-3-methyloxirane
CID 173259415
2-Ethyl-3-vinyloxirane
CID 534767

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-prop-2-enyloxirane?
The IUPAC name of 2-fluoro-3-methyl-2-prop-2-enyloxirane (CID 88840223) is 2-fluoro-3-methyl-2-prop-2-enyloxirane.
What is the SMILES notation for 2-fluoro-3-methyl-2-prop-2-enyloxirane?
The canonical SMILES for 2-fluoro-3-methyl-2-prop-2-enyloxirane is C=CCC1(F)OC1C.
What is the InChIKey of 2-fluoro-3-methyl-2-prop-2-enyloxirane?
The InChIKey is SXCAGRJIWYMKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-3-4-6(7)5(2)8-6/h3,5H,1,4H2,2H3.
What are the key properties of 2-fluoro-3-methyl-2-prop-2-enyloxirane?
2-fluoro-3-methyl-2-prop-2-enyloxirane has a molecular weight of 116.13 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-prop-2-enyloxirane is sourced from PubChem (CID 88840223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).