3-fluoro-2-methyl-2-propyloxirane

C6H11FO — CID 141187896

IUPAC3-fluoro-2-methyl-2-propyloxirane
SMILESCCCC1(C)OC1F
InChIInChI=1S/C6H11FO/c1-3-4-6(2)5(7)8-6/h5H,3-4H2,1-2H3
InChIKeyOAGZPUZDABHTKN-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.87
Rot. Bonds2

About 3-fluoro-2-methyl-2-propyloxirane

3-fluoro-2-methyl-2-propyloxirane (PubChem CID 141187896) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-2-methyl-2-propyloxirane.

Molecular Properties

Compound Name3-fluoro-2-methyl-2-propyloxirane
PubChem CID141187896
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluoro-2-methyl-2-propyloxirane
SMILESCCCC1(C)OC1F
InChIInChI=1S/C6H11FO/c1-3-4-6(2)5(7)8-6/h5H,3-4H2,1-2H3
InChIKeyOAGZPUZDABHTKN-UHFFFAOYSA-N
XLogP1.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.87
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

Oxirane, 2-methyl-2-propyl-
CID 520806
2-Methyl-1,2-epoxyhexane
CID 10920480
2,2-Bis(1-fluoroethyl)oxirane
CID 18512428
2-(1-Fluoroethyl)-2-propan-2-yloxirane
CID 21130155
2-Ethyl-2-fluoro-3,3-dimethyloxirane
CID 23235445
2-[2,3-Difluoro-2-(fluoromethyl)propyl]oxirane
CID 59687222
2-Ethyl-2-(fluoromethyl)oxirane
CID 126514113
2-(3,3-Difluorobutyl)-2-methyloxirane
CID 134451867
2-(1-Fluoro-2-methylpropyl)oxirane
CID 139703848
2-(2-Fluoropropyl)-2-methyloxirane
CID 140020132
2-(2-Fluorobutyl)-2-methyloxirane
CID 140020134
2-Ethyl-2-(2-fluoropropyl)oxirane
CID 140020136

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-2-propyloxirane?
The IUPAC name of 3-fluoro-2-methyl-2-propyloxirane (CID 141187896) is 3-fluoro-2-methyl-2-propyloxirane.
What is the SMILES notation for 3-fluoro-2-methyl-2-propyloxirane?
The canonical SMILES for 3-fluoro-2-methyl-2-propyloxirane is CCCC1(C)OC1F.
What is the InChIKey of 3-fluoro-2-methyl-2-propyloxirane?
The InChIKey is OAGZPUZDABHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-3-4-6(2)5(7)8-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-2-propyloxirane?
3-fluoro-2-methyl-2-propyloxirane has a molecular weight of 118.15 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-2-propyloxirane is sourced from PubChem (CID 141187896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).